1-(4-chlorophenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide

C14H18ClNO2 — CID 91429293

IUPAC1-(4-chlorophenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide
SMILESNC(=O)C1(c2ccc(Cl)cc2)CCCCC1CO
InChIInChI=1S/C14H18ClNO2/c15-12-6-4-10(5-7-12)14(13(16)18)8-2-1-3-11(14)9-17/h4-7,11,17H,1-3,8-9H2,(H2,16,18)
InChIKeyCQNINBYKXJSPFH-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.25
Rot. Bonds3

About 1-(4-chlorophenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide

1-(4-chlorophenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide (PubChem CID 91429293) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide
PubChem CID91429293
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name1-(4-chlorophenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide
SMILESNC(=O)C1(c2ccc(Cl)cc2)CCCCC1CO
InChIInChI=1S/C14H18ClNO2/c15-12-6-4-10(5-7-12)14(13(16)18)8-2-1-3-11(14)9-17/h4-7,11,17H,1-3,8-9H2,(H2,16,18)
InChIKeyCQNINBYKXJSPFH-UHFFFAOYSA-N
XLogP2.25
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(4-chlorophenyl)-N,5-dihydroxypentanamide
CID 45105064
(3S)-3-(4-chlorophenyl)-N,5-dihydroxypentanamide
CID 45105066
3,3-Bis(4-chlorophenyl)-2-fluoro-2-(hydroxymethyl)butanamide
CID 57226302
1-(4-Chloro-3-fluorophenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide
CID 91103310
3-(4-Chlorophenyl)-2-(3-fluorophenyl)-4-methoxybutanamide
CID 91419163
4-(4-chlorophenyl)tetrahydro-2H-pyran-4-carboxamide
CID 50895870
6-[4-(4-chlorophenyl)phenyl]-N,7-dihydroxyheptanamide
CID 60011839
Baclofen Impurity 75
CID 66662232
1-(3,4-dichlorophenyl)-2-(hydroxymethyl)-N-methylcyclohexane-1-carboxamide
CID 67421016
4-(4-Chlorophenyl)-2-(hydroxymethyl)butanamide
CID 67664760
2-[(3-Chlorophenyl)methyl]-4-hydroxybutanamide
CID 68148094
1-(3,4-dichlorophenyl)-2-(hydroxymethyl)-N,N-dimethylcyclohexane-1-carboxamide
CID 68674966

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide (CID 91429293) is 1-(4-chlorophenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide is NC(=O)C1(c2ccc(Cl)cc2)CCCCC1CO.
What is the InChIKey of 1-(4-chlorophenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide?
The InChIKey is CQNINBYKXJSPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c15-12-6-4-10(5-7-12)14(13(16)18)8-2-1-3-11(14)9-17/h4-7,11,17H,1-3,8-9H2,(H2,16,18).
What are the key properties of 1-(4-chlorophenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide?
1-(4-chlorophenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide has a molecular weight of 267.76 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 91429293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).