N-(4-chlorophenyl)-2-oxocyclohexane-1-carboxamide

C13H14ClNO2 — CID 581272

IUPACN-(4-chlorophenyl)-2-oxocyclohexane-1-carboxamide
SMILESO=C1CCCCC1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H14ClNO2/c14-9-5-7-10(8-6-9)15-13(17)11-3-1-2-4-12(11)16/h5-8,11H,1-4H2,(H,15,17)
InChIKeyGLBCPUSXQOAFGK-UHFFFAOYSA-N
MW251.71 g/mol
LogP3.04
Rot. Bonds2

About N-(4-chlorophenyl)-2-oxocyclohexane-1-carboxamide

N-(4-chlorophenyl)-2-oxocyclohexane-1-carboxamide (PubChem CID 581272) has the molecular formula C13H14ClNO2 and a molecular weight of 251.71 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-oxocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-oxocyclohexane-1-carboxamide
PubChem CID581272
Molecular FormulaC13H14ClNO2
Molecular Weight251.71 g/mol
Exact Mass251.07
IUPAC NameN-(4-chlorophenyl)-2-oxocyclohexane-1-carboxamide
SMILESO=C1CCCCC1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H14ClNO2/c14-9-5-7-10(8-6-9)15-13(17)11-3-1-2-4-12(11)16/h5-8,11H,1-4H2,(H,15,17)
InChIKeyGLBCPUSXQOAFGK-UHFFFAOYSA-N
XLogP3.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-(4-chlorophenyl)-2-oxocyclohexane-1-carboxamide 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

2-oxocyclohexane-1-carbohydrazide
CID 45084441
1-N-(4-chlorophenyl)-2-N-cyclopentylcyclopropane-1,2-dicarboxamide
CID 109132096
N-[(4-chlorophenyl)carbamothioyl]cyclopentanecarboxamide
CID 4924371
(2R)-N-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 7183288
1-(4-chlorophenyl)-3-cyclododecylurea
CID 19165021
2-[1-(4-chloroanilino)-2-methylpropyl]cyclohexan-1-one
CID 102017033
2-[4-(4-chloroanilino)piperidin-1-yl]cyclohexan-1-one
CID 86594083
trans-(1S,2S)-N-(4-chlorophenyl)-2-methylcyclopropane-1-carboxamide
CID 2553201
(1R,4Z,8E,12S)-N-(4-chlorophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 7720013
(1R,2S,4S,5R)-N-(4-chlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98136697
N-(4-chlorophenyl)-3-hydroxycyclopentane-1-carboxamide
CID 141145341
(1S,2R,4R,5S)-N-(4-chlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98252305

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-oxocyclohexane-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2-oxocyclohexane-1-carboxamide (CID 581272) is N-(4-chlorophenyl)-2-oxocyclohexane-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-oxocyclohexane-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2-oxocyclohexane-1-carboxamide is O=C1CCCCC1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-oxocyclohexane-1-carboxamide?
The InChIKey is GLBCPUSXQOAFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO2/c14-9-5-7-10(8-6-9)15-13(17)11-3-1-2-4-12(11)16/h5-8,11H,1-4H2,(H,15,17).
What are the key properties of N-(4-chlorophenyl)-2-oxocyclohexane-1-carboxamide?
N-(4-chlorophenyl)-2-oxocyclohexane-1-carboxamide has a molecular weight of 251.71 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-oxocyclohexane-1-carboxamide is sourced from PubChem (CID 581272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).