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

C14H18ClNO2 — CID 82123218

IUPACN-(2-chlorophenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide
SMILESO=C(Nc1ccccc1Cl)C1CCCCC1CO
InChIInChI=1S/C14H18ClNO2/c15-12-7-3-4-8-13(12)16-14(18)11-6-2-1-5-10(11)9-17/h3-4,7-8,10-11,17H,1-2,5-6,9H2,(H,16,18)
InChIKeyHZBFARBVUHUAFK-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.08
Rot. Bonds3

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

N-(2-chlorophenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide (PubChem CID 82123218) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide
PubChem CID82123218
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC NameN-(2-chlorophenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide
SMILESO=C(Nc1ccccc1Cl)C1CCCCC1CO
InChIInChI=1S/C14H18ClNO2/c15-12-7-3-4-8-13(12)16-14(18)11-6-2-1-5-10(11)9-17/h3-4,7-8,10-11,17H,1-2,5-6,9H2,(H,16,18)
InChIKeyHZBFARBVUHUAFK-UHFFFAOYSA-N
XLogP3.08
TPSA49.33 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 ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2S)-2-[(2-chlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 786077
N-(2-cyanophenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide
CID 82120953
N-(2-chlorophenyl)cyclopropanecarboxamide
CID 849222
N-(2,6-dimethylphenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide
CID 82121754
N-(2-chlorophenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 4069270
N-(2-chlorophenyl)thiane-4-carboxamide
CID 110858755
(1S,6S)-6-[(2-chlorophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate
CID 7058222
2-N-(2-chlorophenyl)-1-N-phenylcyclohex-4-ene-1,2-dicarboxamide
CID 18824632
N'-(2-chlorophenyl)-N-cyclopentylpropanediamide
CID 108942228
2-N-(2-chlorophenyl)-1-N-(3,5-dichlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109142850
N-[2-(cyclopentanecarbonylamino)phenyl]cyclopentanecarboxamide
CID 837694
4-N-(2-chlorophenyl)-1-N-(2-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109150860

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide (CID 82123218) is N-(2-chlorophenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide is O=C(Nc1ccccc1Cl)C1CCCCC1CO.
What is the InChIKey of N-(2-chlorophenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide?
The InChIKey is HZBFARBVUHUAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c15-12-7-3-4-8-13(12)16-14(18)11-6-2-1-5-10(11)9-17/h3-4,7-8,10-11,17H,1-2,5-6,9H2,(H,16,18).
What are the key properties of N-(2-chlorophenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide?
N-(2-chlorophenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide has a molecular weight of 267.76 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 82123218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).