2-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-3-(trifluoromethyl)benzamide

C14H15F4NO2 — CID 104956750

IUPAC2-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-3-(trifluoromethyl)benzamide
SMILESO=C(N[C@H]1CCCC[C@@H]1O)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C14H15F4NO2/c15-12-8(4-3-5-9(12)14(16,17)18)13(21)19-10-6-1-2-7-11(10)20/h3-5,10-11,20H,1-2,6-7H2,(H,19,21)/t10-,11-/m0/s1
InChIKeyOFTWFQAZNLJUEW-QWRGUYRKSA-N
MW305.27 g/mol
LogP2.88
Rot. Bonds2

About 2-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-3-(trifluoromethyl)benzamide

2-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-3-(trifluoromethyl)benzamide (PubChem CID 104956750) has the molecular formula C14H15F4NO2 and a molecular weight of 305.27 g/mol. Its IUPAC name is 2-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-3-(trifluoromethyl)benzamide
PubChem CID104956750
Molecular FormulaC14H15F4NO2
Molecular Weight305.27 g/mol
Exact Mass305.10
IUPAC Name2-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-3-(trifluoromethyl)benzamide
SMILESO=C(N[C@H]1CCCC[C@@H]1O)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C14H15F4NO2/c15-12-8(4-3-5-9(12)14(16,17)18)13(21)19-10-6-1-2-7-11(10)20/h3-5,10-11,20H,1-2,6-7H2,(H,19,21)/t10-,11-/m0/s1
InChIKeyOFTWFQAZNLJUEW-QWRGUYRKSA-N
XLogP2.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.27
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-3-(trifluoromethyl)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

N-(2-chlorocyclohexyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 114301247
N-[2-(aminomethyl)cyclohexyl]-2-fluoro-3-(trifluoromethyl)benzamide
CID 119611281
3-bromo-2-fluoro-N-(2-hydroxycycloheptyl)benzamide
CID 107953230
2-fluoro-N-(4-hydroxycyclohexyl)-3-(trifluoromethyl)benzamide
CID 79884389
N-(2,2-dimethylcyclopropyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 79884450
2-chloro-3-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 104956755
2-fluoro-N-(3-methylcyclobutyl)-3-(trifluoromethyl)benzamide
CID 113252168
N-[(1S,2S)-2-hydroxycyclohexyl]-2-(trifluoromethylsulfanyl)benzamide
CID 104957142
2-fluoro-N-hydroxy-3-(trifluoromethyl)benzamide
CID 18696136
2-[[(1S,2S)-2-hydroxycyclohexyl]carbamoyl]benzoic acid
CID 94415090
2-[[(1R,2R)-2-hydroxycyclohexyl]carbamoyl]benzoic acid
CID 94415091
N-(2-cyclopropylethyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 79885002

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-3-(trifluoromethyl)benzamide (CID 104956750) is 2-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-3-(trifluoromethyl)benzamide is O=C(N[C@H]1CCCC[C@@H]1O)c1cccc(C(F)(F)F)c1F.
What is the InChIKey of 2-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-3-(trifluoromethyl)benzamide?
The InChIKey is OFTWFQAZNLJUEW-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H15F4NO2/c15-12-8(4-3-5-9(12)14(16,17)18)13(21)19-10-6-1-2-7-11(10)20/h3-5,10-11,20H,1-2,6-7H2,(H,19,21)/t10-,11-/m0/s1.
What are the key properties of 2-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-3-(trifluoromethyl)benzamide?
2-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-3-(trifluoromethyl)benzamide has a molecular weight of 305.27 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 104956750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).