4-[(4-amino-3,5-dichlorobenzoyl)amino]cyclohexane-1-carboxylic acid

C14H16Cl2N2O3 — CID 82811425

IUPAC4-[(4-amino-3,5-dichlorobenzoyl)amino]cyclohexane-1-carboxylic acid
SMILESNc1c(Cl)cc(C(=O)NC2CCC(C(=O)O)CC2)cc1Cl
InChIInChI=1S/C14H16Cl2N2O3/c15-10-5-8(6-11(16)12(10)17)13(19)18-9-3-1-7(2-4-9)14(20)21/h5-7,9H,1-4,17H2,(H,18,19)(H,20,21)
InChIKeyWWXMMVSZLMVATP-UHFFFAOYSA-N
MW331.20 g/mol
LogP2.95
Rot. Bonds3

About 4-[(4-amino-3,5-dichlorobenzoyl)amino]cyclohexane-1-carboxylic acid

4-[(4-amino-3,5-dichlorobenzoyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 82811425) has the molecular formula C14H16Cl2N2O3 and a molecular weight of 331.20 g/mol. Its IUPAC name is 4-[(4-amino-3,5-dichlorobenzoyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4-amino-3,5-dichlorobenzoyl)amino]cyclohexane-1-carboxylic acid
PubChem CID82811425
Molecular FormulaC14H16Cl2N2O3
Molecular Weight331.20 g/mol
Exact Mass330.05
IUPAC Name4-[(4-amino-3,5-dichlorobenzoyl)amino]cyclohexane-1-carboxylic acid
SMILESNc1c(Cl)cc(C(=O)NC2CCC(C(=O)O)CC2)cc1Cl
InChIInChI=1S/C14H16Cl2N2O3/c15-10-5-8(6-11(16)12(10)17)13(19)18-9-3-1-7(2-4-9)14(20)21/h5-7,9H,1-4,17H2,(H,18,19)(H,20,21)
InChIKeyWWXMMVSZLMVATP-UHFFFAOYSA-N
XLogP2.95
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(4-amino-3,5-dichlorobenzoyl)amino]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-[(3-chloro-4-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63194787
4-[(3-chloro-5-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 81323289
3-amino-4,5-dichloro-N-cyclooctylbenzamide
CID 61090105
4-amino-3,5-dichloro-N-(thian-3-yl)benzamide
CID 115869160
4-amino-3,5-dichloro-N-(1-cyclopropylpyrrolidin-3-yl)benzamide
CID 82833146
4-[(4-amino-3,5-dichlorobenzoyl)amino]oxolane-3-carboxylic acid
CID 82833163
4-[(5-methylfuran-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 114818826
cis-(1R,3S)-3-[(3,5-dibromobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320556
4-[(4-tert-butylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 119229777
2,3-dichloro-5-(cyclopropylcarbamoyl)benzenesulfonyl chloride
CID 65368290
4-[[4-(hydroxymethyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 60809354
cis-(1R,3S)-3-[(3-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320533

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-3,5-dichlorobenzoyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(4-amino-3,5-dichlorobenzoyl)amino]cyclohexane-1-carboxylic acid (CID 82811425) is 4-[(4-amino-3,5-dichlorobenzoyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(4-amino-3,5-dichlorobenzoyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(4-amino-3,5-dichlorobenzoyl)amino]cyclohexane-1-carboxylic acid is Nc1c(Cl)cc(C(=O)NC2CCC(C(=O)O)CC2)cc1Cl.
What is the InChIKey of 4-[(4-amino-3,5-dichlorobenzoyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is WWXMMVSZLMVATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O3/c15-10-5-8(6-11(16)12(10)17)13(19)18-9-3-1-7(2-4-9)14(20)21/h5-7,9H,1-4,17H2,(H,18,19)(H,20,21).
What are the key properties of 4-[(4-amino-3,5-dichlorobenzoyl)amino]cyclohexane-1-carboxylic acid?
4-[(4-amino-3,5-dichlorobenzoyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 331.20 g/mol, XLogP of 2.95, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-3,5-dichlorobenzoyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 82811425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).