halocarban

CHEBI:135477 ·resolve ·ANTIBACTERIAL ·EXACT SEEDED

A phenylurea that is urea substituted by 4-chlorophenyl and 4-chloro-3-trifluoromethylphenyl groups at positions 1 and 3 respectively. It is often used in deodarants and soaps on account of its anbacterial properties. — ChEBI

Machine-generated and unreviewed. Identity, structure and cross-references come straight from ChEBI's and CARD's own data; no curator has signed off on this record yet.

Classification

Strictly broader compounds or drug classes this molecule belongs to.

Label unavailable CHEBI:134043
Label unavailable CHEBI:83403

Chemical structure

Computed structure properties
Molecular formula	C14H9Cl2F3N2O
Charge	0
Average mass	349.139 Da
Monoisotopic mass	348.0044 Da
Source	ChEBI
InChIKey	ZFSXZJXLKAJIGS-UHFFFAOYSA-N

SMILES

O=C(Nc1ccc(Cl)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1

InChI

InChI=1S/C14H9Cl2F3N2O/c15-8-1-3-9(4-2-8)20-13(22)21-10-5-6-12(16)11(7-10)14(17,18)19/h1-7H,(H2,20,21,22)

Also called

halocarbano (INN)— chebi
halocarbanum (INN)— chebi
N-(4-chlorophenyl)-N'-[4-chloro-3-(trifluoromethyl)phenyl]urea (EXACT_SYNONYM)— chebi
4,4'-Dichloro-3-(trifluoromethyl)carbanilide (EXACT_SYNONYM)— chebi
N-(4-Chlorophenyl)-N'-(4-chloro-3-(trifluoromethyl)phenyl)urea (EXACT_SYNONYM)— chebi
cloflucarban (EXACT_SYNONYM)— chebi
trifluoromethyldichlorocarbanilide (EXACT_SYNONYM)— chebi

Cross-references

Identifiers for this same structure in other resources. An accession that lands on two different structures in this corpus is withheld from both rather than shown here, since it names at most one of them.

cas:369-77-7

Drug registries

Identifiers that name a drug rather than a structure. One of these can cover a parent compound, its salts and its stereoisomers, which this corpus keeps as separate records, so it is not an equivalence of structure.

drugcentral:3108

Activity roles

Every antimicrobial role a source asserts for this compound — the unreduced evidence behind its antimicrobial_class.

antibacterial agent CHEBI:33282

Source concepts

Every upstream concept that resolved to this record. The merge is the product: this is what shows ChEBI and CARD are describing the same structure.

Upstream concepts merged into this record
Source	Native ID	Label	Minted CURIE	Version
CHEBI	`CHEBI:135477`	halocarban	`antibioticmech:chebi-f640832b4b`	2026-08-30

Curation history

SEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Seeded from data/raw/ inventories (CHEBI)
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
RESEEDED_FROM_SOURCES 2026-09-10 · seed_from_sources
Re-seeded from updated data/raw/ inventories

Provenance

Seeded by scripts/seed_from_sources.py from the committed inventories in data/raw/. View the record (YAML).

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