N-[2-(chloromethyl)cyclohexyl]-2-hydroxy-3-methylbenzamide

C15H20ClNO2 — CID 106366835

IUPACN-[2-(chloromethyl)cyclohexyl]-2-hydroxy-3-methylbenzamide
SMILESCc1cccc(C(=O)NC2CCCCC2CCl)c1O
InChIInChI=1S/C15H20ClNO2/c1-10-5-4-7-12(14(10)18)15(19)17-13-8-3-2-6-11(13)9-16/h4-5,7,11,13,18H,2-3,6,8-9H2,1H3,(H,17,19)
InChIKeyLNGUSXJUVLIXMS-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.23
Rot. Bonds3

About N-[2-(chloromethyl)cyclohexyl]-2-hydroxy-3-methylbenzamide

N-[2-(chloromethyl)cyclohexyl]-2-hydroxy-3-methylbenzamide (PubChem CID 106366835) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is N-[2-(chloromethyl)cyclohexyl]-2-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-(chloromethyl)cyclohexyl]-2-hydroxy-3-methylbenzamide
PubChem CID106366835
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC NameN-[2-(chloromethyl)cyclohexyl]-2-hydroxy-3-methylbenzamide
SMILESCc1cccc(C(=O)NC2CCCCC2CCl)c1O
InChIInChI=1S/C15H20ClNO2/c1-10-5-4-7-12(14(10)18)15(19)17-13-8-3-2-6-11(13)9-16/h4-5,7,11,13,18H,2-3,6,8-9H2,1H3,(H,17,19)
InChIKeyLNGUSXJUVLIXMS-UHFFFAOYSA-N
XLogP3.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[2-(chloromethyl)cyclopentyl]-2,3-dimethylbenzamide
CID 114179397
N-(2-bromocyclohexyl)-2-hydroxy-3-methylbenzamide
CID 114312067
4-chloro-N-[2-(chloromethyl)cyclohexyl]-2-methylbenzamide
CID 114179592
N-[2-(chloromethyl)cyclohexyl]-3-methylpyridine-2-carboxamide
CID 114179571
N-cyclobutyl-2-hydroxy-3-methylbenzamide
CID 62416564
N-[2-(chloromethyl)cyclohexyl]-2-(trifluoromethyl)benzamide
CID 106366776
N-[2-(aminomethyl)cyclohexyl]-2-methylbenzamide;hydrochloride
CID 119609179
N-[2-(chloromethyl)cyclohexyl]-2,5-dihydroxybenzamide
CID 114179613
N-[2-(aminomethyl)cyclohexyl]-2-iodo-3-methylbenzamide;hydrochloride
CID 119610198
N-[2-(chloromethyl)cyclohexyl]-3-methylthiophene-2-carboxamide
CID 106366771
2-methyl-N-[(1S,2S)-2-[(2-methylbenzoyl)amino]cyclohexyl]benzamide
CID 979091
N-[2-(hydroxymethyl)cyclopentyl]-2-iodo-3-methylbenzamide
CID 113254999

Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)cyclohexyl]-2-hydroxy-3-methylbenzamide?
The IUPAC name of N-[2-(chloromethyl)cyclohexyl]-2-hydroxy-3-methylbenzamide (CID 106366835) is N-[2-(chloromethyl)cyclohexyl]-2-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-[2-(chloromethyl)cyclohexyl]-2-hydroxy-3-methylbenzamide?
The canonical SMILES for N-[2-(chloromethyl)cyclohexyl]-2-hydroxy-3-methylbenzamide is Cc1cccc(C(=O)NC2CCCCC2CCl)c1O.
What is the InChIKey of N-[2-(chloromethyl)cyclohexyl]-2-hydroxy-3-methylbenzamide?
The InChIKey is LNGUSXJUVLIXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-10-5-4-7-12(14(10)18)15(19)17-13-8-3-2-6-11(13)9-16/h4-5,7,11,13,18H,2-3,6,8-9H2,1H3,(H,17,19).
What are the key properties of N-[2-(chloromethyl)cyclohexyl]-2-hydroxy-3-methylbenzamide?
N-[2-(chloromethyl)cyclohexyl]-2-hydroxy-3-methylbenzamide has a molecular weight of 281.78 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)cyclohexyl]-2-hydroxy-3-methylbenzamide is sourced from PubChem (CID 106366835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).