3-hydroxy-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide

C12H12F3NO2 — CID 114159047

IUPAC3-hydroxy-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
SMILESCc1ccc(C(=O)NC2(C(F)(F)F)CC2)cc1O
InChIInChI=1S/C12H12F3NO2/c1-7-2-3-8(6-9(7)17)10(18)16-11(4-5-11)12(13,14)15/h2-3,6,17H,4-5H2,1H3,(H,16,18)
InChIKeyZYLPVOFMIRINRR-UHFFFAOYSA-N
MW259.23 g/mol
LogP2.53
Rot. Bonds2

About 3-hydroxy-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide

3-hydroxy-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide (PubChem CID 114159047) has the molecular formula C12H12F3NO2 and a molecular weight of 259.23 g/mol. Its IUPAC name is 3-hydroxy-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide.

Molecular Properties

Compound Name3-hydroxy-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
PubChem CID114159047
Molecular FormulaC12H12F3NO2
Molecular Weight259.23 g/mol
Exact Mass259.08
IUPAC Name3-hydroxy-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
SMILESCc1ccc(C(=O)NC2(C(F)(F)F)CC2)cc1O
InChIInChI=1S/C12H12F3NO2/c1-7-2-3-8(6-9(7)17)10(18)16-11(4-5-11)12(13,14)15/h2-3,6,17H,4-5H2,1H3,(H,16,18)
InChIKeyZYLPVOFMIRINRR-UHFFFAOYSA-N
XLogP2.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-hydroxy-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 114158343
3-methyl-4-(methylamino)-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106218202
4-bromo-3-(trifluoromethyl)-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 103808061
5-amino-2,4-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106208292
4-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 114159062
N-(1-cyanocyclohexyl)-3-hydroxy-4-methylbenzamide
CID 60718518
2-[1-[(3-hydroxy-4-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 79848771
3-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106213729
3-hydroxy-4-methyl-N-(2,2,2-trifluoroethoxy)benzamide
CID 82722087
3-hydroxy-N-(2-hydroxycyclohexyl)-4-methylbenzamide
CID 62367156
(3-hydroxy-4-methylphenyl)-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone
CID 110016650
2-oxo-N-[1-(trifluoromethyl)cyclopropyl]-1,3-dihydroindole-6-carboxamide
CID 102969369

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide?
The IUPAC name of 3-hydroxy-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide (CID 114159047) is 3-hydroxy-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide.
What is the SMILES notation for 3-hydroxy-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide?
The canonical SMILES for 3-hydroxy-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide is Cc1ccc(C(=O)NC2(C(F)(F)F)CC2)cc1O.
What is the InChIKey of 3-hydroxy-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide?
The InChIKey is ZYLPVOFMIRINRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO2/c1-7-2-3-8(6-9(7)17)10(18)16-11(4-5-11)12(13,14)15/h2-3,6,17H,4-5H2,1H3,(H,16,18).
What are the key properties of 3-hydroxy-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide?
3-hydroxy-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide has a molecular weight of 259.23 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide is sourced from PubChem (CID 114159047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).