4-(2-carbamoyl-5-chloroanilino)cyclohexane-1-carboxylic acid

C14H17ClN2O3 — CID 63082756

IUPAC4-(2-carbamoyl-5-chloroanilino)cyclohexane-1-carboxylic acid
SMILESNC(=O)c1ccc(Cl)cc1NC1CCC(C(=O)O)CC1
InChIInChI=1S/C14H17ClN2O3/c15-9-3-6-11(13(16)18)12(7-9)17-10-4-1-8(2-5-10)14(19)20/h3,6-8,10,17H,1-2,4-5H2,(H2,16,18)(H,19,20)
InChIKeyLMEJSFBRKSUJPI-UHFFFAOYSA-N
MW296.75 g/mol
LogP2.49
Rot. Bonds4

About 4-(2-carbamoyl-5-chloroanilino)cyclohexane-1-carboxylic acid

4-(2-carbamoyl-5-chloroanilino)cyclohexane-1-carboxylic acid (PubChem CID 63082756) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is 4-(2-carbamoyl-5-chloroanilino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-carbamoyl-5-chloroanilino)cyclohexane-1-carboxylic acid
PubChem CID63082756
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name4-(2-carbamoyl-5-chloroanilino)cyclohexane-1-carboxylic acid
SMILESNC(=O)c1ccc(Cl)cc1NC1CCC(C(=O)O)CC1
InChIInChI=1S/C14H17ClN2O3/c15-9-3-6-11(13(16)18)12(7-9)17-10-4-1-8(2-5-10)14(19)20/h3,6-8,10,17H,1-2,4-5H2,(H2,16,18)(H,19,20)
InChIKeyLMEJSFBRKSUJPI-UHFFFAOYSA-N
XLogP2.49
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-(2-carbamoyl-5-chloroanilino)cyclohexane-1-carboxylic acid 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

4-chloro-2-[(4-methylcyclohexyl)amino]benzoic acid
CID 63510691
4-[(7-chloroquinolin-2-yl)amino]cyclohexane-1-carboxylic acid
CID 122059980
2-[(4-aminocyclohexyl)amino]-4-chloro-N,N-dimethylbenzamide
CID 79730315
4-(2-bromo-4-carbamoylanilino)cyclohexane-1-carboxylic acid
CID 82797963
2-(cyclopropylamino)benzamide
CID 119089293
N-(2-carbamothioyl-5-chlorophenyl)cyclopropanecarboxamide
CID 64916810
4-chloro-N,N-dimethyl-2-[(4-methylcyclohexyl)amino]benzamide
CID 43737618
cis-(1R,3S)-3-(2-carbamoyl-4-fluoroanilino)cyclopentane-1-carboxylic acid
CID 106322091
3-amino-N-[5-chloro-2-(cyclopropylamino)phenyl]propanamide
CID 119856759
[5-chloro-2-(cyclopropylamino)phenyl]-phenylmethanone
CID 14598884
3-[(4-chloro-2-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66031335
1-(2-carbamothioyl-5-chlorophenyl)-3-cyclopropylurea
CID 64920032

Frequently Asked Questions

What is the IUPAC name of 4-(2-carbamoyl-5-chloroanilino)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(2-carbamoyl-5-chloroanilino)cyclohexane-1-carboxylic acid (CID 63082756) is 4-(2-carbamoyl-5-chloroanilino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(2-carbamoyl-5-chloroanilino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(2-carbamoyl-5-chloroanilino)cyclohexane-1-carboxylic acid is NC(=O)c1ccc(Cl)cc1NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-(2-carbamoyl-5-chloroanilino)cyclohexane-1-carboxylic acid?
The InChIKey is LMEJSFBRKSUJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c15-9-3-6-11(13(16)18)12(7-9)17-10-4-1-8(2-5-10)14(19)20/h3,6-8,10,17H,1-2,4-5H2,(H2,16,18)(H,19,20).
What are the key properties of 4-(2-carbamoyl-5-chloroanilino)cyclohexane-1-carboxylic acid?
4-(2-carbamoyl-5-chloroanilino)cyclohexane-1-carboxylic acid has a molecular weight of 296.75 g/mol, XLogP of 2.49, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-carbamoyl-5-chloroanilino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63082756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).