4-chloro-2-hydroxy-N-methyl-N-(4-oxocyclohexyl)benzamide

C14H16ClNO3 — CID 79120625

IUPAC4-chloro-2-hydroxy-N-methyl-N-(4-oxocyclohexyl)benzamide
SMILESCN(C(=O)c1ccc(Cl)cc1O)C1CCC(=O)CC1
InChIInChI=1S/C14H16ClNO3/c1-16(10-3-5-11(17)6-4-10)14(19)12-7-2-9(15)8-13(12)18/h2,7-8,10,18H,3-6H2,1H3
InChIKeyJNOYKGMLYJFQQT-UHFFFAOYSA-N
MW281.74 g/mol
LogP2.63
Rot. Bonds2

About 4-chloro-2-hydroxy-N-methyl-N-(4-oxocyclohexyl)benzamide

4-chloro-2-hydroxy-N-methyl-N-(4-oxocyclohexyl)benzamide (PubChem CID 79120625) has the molecular formula C14H16ClNO3 and a molecular weight of 281.74 g/mol. Its IUPAC name is 4-chloro-2-hydroxy-N-methyl-N-(4-oxocyclohexyl)benzamide.

Molecular Properties

Compound Name4-chloro-2-hydroxy-N-methyl-N-(4-oxocyclohexyl)benzamide
PubChem CID79120625
Molecular FormulaC14H16ClNO3
Molecular Weight281.74 g/mol
Exact Mass281.08
IUPAC Name4-chloro-2-hydroxy-N-methyl-N-(4-oxocyclohexyl)benzamide
SMILESCN(C(=O)c1ccc(Cl)cc1O)C1CCC(=O)CC1
InChIInChI=1S/C14H16ClNO3/c1-16(10-3-5-11(17)6-4-10)14(19)12-7-2-9(15)8-13(12)18/h2,7-8,10,18H,3-6H2,1H3
InChIKeyJNOYKGMLYJFQQT-UHFFFAOYSA-N
XLogP2.63
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 114024487
4-bromo-2-hydroxy-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 79119736
2,5-difluoro-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 79120708
4-chloro-2-hydroxy-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 62546983
4-bromo-2-fluoro-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 79120141
2-chloro-3-fluoro-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 81453111
5-chloro-N-cyclobutyl-2-fluoro-N-methylbenzamide
CID 115649144
4-chloro-N-cycloheptyl-2-fluoro-N-methylbenzamide
CID 112805278
4-chloro-N-(1-cyclopropylethyl)-2-hydroxy-N-methylbenzamide
CID 43420563
2-amino-5-chloro-N-cyclohexyl-N-methylbenzamide
CID 16781756
3-bromo-5-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 107939103
2,4-dichloro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119444290

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-hydroxy-N-methyl-N-(4-oxocyclohexyl)benzamide?
The IUPAC name of 4-chloro-2-hydroxy-N-methyl-N-(4-oxocyclohexyl)benzamide (CID 79120625) is 4-chloro-2-hydroxy-N-methyl-N-(4-oxocyclohexyl)benzamide.
What is the SMILES notation for 4-chloro-2-hydroxy-N-methyl-N-(4-oxocyclohexyl)benzamide?
The canonical SMILES for 4-chloro-2-hydroxy-N-methyl-N-(4-oxocyclohexyl)benzamide is CN(C(=O)c1ccc(Cl)cc1O)C1CCC(=O)CC1.
What is the InChIKey of 4-chloro-2-hydroxy-N-methyl-N-(4-oxocyclohexyl)benzamide?
The InChIKey is JNOYKGMLYJFQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO3/c1-16(10-3-5-11(17)6-4-10)14(19)12-7-2-9(15)8-13(12)18/h2,7-8,10,18H,3-6H2,1H3.
What are the key properties of 4-chloro-2-hydroxy-N-methyl-N-(4-oxocyclohexyl)benzamide?
4-chloro-2-hydroxy-N-methyl-N-(4-oxocyclohexyl)benzamide has a molecular weight of 281.74 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-hydroxy-N-methyl-N-(4-oxocyclohexyl)benzamide is sourced from PubChem (CID 79120625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).