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

C13H15ClFNO2 — CID 104956755

IUPAC2-chloro-3-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
SMILESO=C(N[C@H]1CCCC[C@@H]1O)c1cccc(F)c1Cl
InChIInChI=1S/C13H15ClFNO2/c14-12-8(4-3-5-9(12)15)13(18)16-10-6-1-2-7-11(10)17/h3-5,10-11,17H,1-2,6-7H2,(H,16,18)/t10-,11-/m0/s1
InChIKeyGPZUWKLOPBTINN-QWRGUYRKSA-N
MW271.72 g/mol
LogP2.51
Rot. Bonds2

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

2-chloro-3-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide (PubChem CID 104956755) has the molecular formula C13H15ClFNO2 and a molecular weight of 271.72 g/mol. Its IUPAC name is 2-chloro-3-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide.

Molecular Properties

Compound Name2-chloro-3-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
PubChem CID104956755
Molecular FormulaC13H15ClFNO2
Molecular Weight271.72 g/mol
Exact Mass271.08
IUPAC Name2-chloro-3-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
SMILESO=C(N[C@H]1CCCC[C@@H]1O)c1cccc(F)c1Cl
InChIInChI=1S/C13H15ClFNO2/c14-12-8(4-3-5-9(12)15)13(18)16-10-6-1-2-7-11(10)17/h3-5,10-11,17H,1-2,6-7H2,(H,16,18)/t10-,11-/m0/s1
InChIKeyGPZUWKLOPBTINN-QWRGUYRKSA-N
XLogP2.51
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.72
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-chloro-3-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]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-bromo-2-chloro-N-(2-hydroxycyclohexyl)benzamide
CID 110021575
N-[2-(bromomethyl)cyclohexyl]-2-chloro-3-fluorobenzamide
CID 106367046
2-fluoro-6-hydroxy-N-(2-hydroxycyclohexyl)benzamide
CID 104920401
3-bromo-2-fluoro-N-(2-hydroxycycloheptyl)benzamide
CID 107953230
2-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-3-(trifluoromethyl)benzamide
CID 104956750
2-[[(1S,2S)-2-hydroxycyclohexyl]carbamoyl]benzoic acid
CID 94415090
2-[[(1R,2R)-2-hydroxycyclohexyl]carbamoyl]benzoic acid
CID 94415091
2-chloro-N-(cyclooctylmethyl)-3-fluorobenzamide
CID 173284973
2-chloro-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119388266
2-chloro-3-fluoro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 81461356
N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-3-fluoro-2-hydroxybenzamide
CID 110166110
3-[(2-chloro-3-fluorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 81454437

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide?
The IUPAC name of 2-chloro-3-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide (CID 104956755) is 2-chloro-3-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide.
What is the SMILES notation for 2-chloro-3-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide?
The canonical SMILES for 2-chloro-3-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide is O=C(N[C@H]1CCCC[C@@H]1O)c1cccc(F)c1Cl.
What is the InChIKey of 2-chloro-3-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide?
The InChIKey is GPZUWKLOPBTINN-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H15ClFNO2/c14-12-8(4-3-5-9(12)15)13(18)16-10-6-1-2-7-11(10)17/h3-5,10-11,17H,1-2,6-7H2,(H,16,18)/t10-,11-/m0/s1.
What are the key properties of 2-chloro-3-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide?
2-chloro-3-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide has a molecular weight of 271.72 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide is sourced from PubChem (CID 104956755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).