3-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methylbenzamide

C14H18ClNO2 — CID 104956646

IUPAC3-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N[C@H]2CCCC[C@@H]2O)cc1Cl
InChIInChI=1S/C14H18ClNO2/c1-9-6-7-10(8-11(9)15)14(18)16-12-4-2-3-5-13(12)17/h6-8,12-13,17H,2-5H2,1H3,(H,16,18)/t12-,13-/m0/s1
InChIKeyKVOXVOHWFXFIJS-STQMWFEESA-N
MW267.76 g/mol
LogP2.68
Rot. Bonds2

About 3-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methylbenzamide

3-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methylbenzamide (PubChem CID 104956646) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 3-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methylbenzamide
PubChem CID104956646
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name3-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N[C@H]2CCCC[C@@H]2O)cc1Cl
InChIInChI=1S/C14H18ClNO2/c1-9-6-7-10(8-11(9)15)14(18)16-12-4-2-3-5-13(12)17/h6-8,12-13,17H,2-5H2,1H3,(H,16,18)/t12-,13-/m0/s1
InChIKeyKVOXVOHWFXFIJS-STQMWFEESA-N
XLogP2.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methylbenzamide 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-hydroxy-N-(2-hydroxycyclohexyl)-4-methylbenzamide
CID 62367156
2-[(3-chloro-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 64815140
3-chloro-N-(2-hydroxycyclohexyl)-4-iodobenzamide
CID 103855445
3-amino-4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 94413683
4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 40617766
N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-chloro-4-methylbenzamide
CID 155912978
4-chloro-N-(2-hydroxycyclopentyl)benzamide
CID 14967652
3-[(2-chloropyrimidin-5-yl)methylamino]-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methylbenzamide
CID 156753165
4-[(3-chloro-4-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63194787
N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpyridine-4-carboxamide
CID 106753486
3-chloro-4-methyl-N-[(3S)-piperidin-3-yl]benzamide
CID 113341605
3-[(2-hydroxycyclohexyl)carbamoylamino]-4-methylbenzoic acid
CID 62360558

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methylbenzamide?
The IUPAC name of 3-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methylbenzamide (CID 104956646) is 3-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methylbenzamide.
What is the SMILES notation for 3-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methylbenzamide?
The canonical SMILES for 3-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methylbenzamide is Cc1ccc(C(=O)N[C@H]2CCCC[C@@H]2O)cc1Cl.
What is the InChIKey of 3-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methylbenzamide?
The InChIKey is KVOXVOHWFXFIJS-STQMWFEESA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-9-6-7-10(8-11(9)15)14(18)16-12-4-2-3-5-13(12)17/h6-8,12-13,17H,2-5H2,1H3,(H,16,18)/t12-,13-/m0/s1.
What are the key properties of 3-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methylbenzamide?
3-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methylbenzamide has a molecular weight of 267.76 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methylbenzamide is sourced from PubChem (CID 104956646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).