tolprocarb

CHEBI:85628 ·resolve ·ANTIFUNGAL ·EXACT SEEDED

A carbamate ester that is the 2,2,2-trifluoroethyl ester of [(2S)-3-methyl-1-(4-methylbenzamido)butan-2-yl]carbamic acid. It is a novel systemic fungicide used for controlling rice blast. — 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.

CHEBI:22702 CHEBI:22702
CHEBI:23003 CHEBI:23003
CHEBI:37143 CHEBI:37143
CHEBI:87061 CHEBI:87061

Chemical structure

Computed structure properties
Molecular formula	C16H21F3N2O3
Charge	0
Average mass	346.349 Da
Monoisotopic mass	346.15043 Da
Source	ChEBI
InChIKey	RSOBJVBYZCMJOS-CYBMUJFWSA-N

SMILES

Cc1ccc(C(=O)NC[C@@H](NC(=O)OCC(F)(F)F)C(C)C)cc1

InChI

InChI=1S/C16H21F3N2O3/c1-10(2)13(21-15(23)24-9-16(17,18)19)8-20-14(22)12-6-4-11(3)5-7-12/h4-7,10,13H,8-9H2,1-3H3,(H,20,22)(H,21,23)/t13-/m1/s1

Also called

2,2,2-trifluoroethyl [(2S)-3-methyl-1-(4-methylbenzamido)butan-2-yl]carbamate (EXACT_SYNONYM)— chebi
2,2,2-trifluoroethyl (S)-[2-methyl-1-(p-toluoylaminomethyl)propyl]carbamate (EXACT_SYNONYM)— chebi
2,2,2-trifluoroethyl N-[(1S)-2-methyl-1-[[(4-methylbenzoyl)amino]methyl]propyl]carbamate (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

cas:911499-62-2
pesticides:tolprocarb
ppdb:3080
reaxys:11342132

Activity roles

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

CHEBI:24127 CHEBI:24127
CHEBI:86328 CHEBI:86328

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:85628`	tolprocarb	`antibioticmech:chebi-10be20a864`	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

Provenance

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