1-[(2,4-dichlorobenzoyl)amino]cyclopentane-1-carboxylic acid

C13H13Cl2NO3 — CID 43329570

IUPAC1-[(2,4-dichlorobenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H13Cl2NO3/c14-8-3-4-9(10(15)7-8)11(17)16-13(12(18)19)5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H,16,17)(H,18,19)
InChIKeyLIHHRDKLFTUFAL-UHFFFAOYSA-N
MW302.16 g/mol
LogP3.12
Rot. Bonds3

About 1-[(2,4-dichlorobenzoyl)amino]cyclopentane-1-carboxylic acid

1-[(2,4-dichlorobenzoyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 43329570) has the molecular formula C13H13Cl2NO3 and a molecular weight of 302.16 g/mol. Its IUPAC name is 1-[(2,4-dichlorobenzoyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2,4-dichlorobenzoyl)amino]cyclopentane-1-carboxylic acid
PubChem CID43329570
Molecular FormulaC13H13Cl2NO3
Molecular Weight302.16 g/mol
Exact Mass301.03
IUPAC Name1-[(2,4-dichlorobenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H13Cl2NO3/c14-8-3-4-9(10(15)7-8)11(17)16-13(12(18)19)5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H,16,17)(H,18,19)
InChIKeyLIHHRDKLFTUFAL-UHFFFAOYSA-N
XLogP3.12
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(2,4-dichlorobenzoyl)amino]cyclopentane-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

1-[(2-bromo-4-chlorobenzoyl)amino]cycloheptane-1-carboxylic acid
CID 107986460
1-[(4-chloro-2-methoxybenzoyl)amino]cyclobutane-1-carboxylic acid
CID 81158312
2,4-dichloro-N-[1-(hydroxymethyl)cyclobutyl]benzamide
CID 115878522
1-[(2,4-difluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43329545
1-[(5-chloro-2-iodobenzoyl)amino]cyclopropane-1-carboxylic acid
CID 103925830
1-[(5-acetamido-2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 119350557
1-[(2,4-difluorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 24708713
N-(1-carbamoylcyclohexyl)-2,5-dichlorobenzamide
CID 78903583
1-[(4-bromo-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43329492
1-[(2,4-dichlorophenyl)carbamoylamino]cyclobutane-1-carboxylic acid
CID 81160963
1-[(3,5-dichloro-1H-indole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 119176792
1-[(2-chloro-5-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43427424

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorobenzoyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(2,4-dichlorobenzoyl)amino]cyclopentane-1-carboxylic acid (CID 43329570) is 1-[(2,4-dichlorobenzoyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(2,4-dichlorobenzoyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(2,4-dichlorobenzoyl)amino]cyclopentane-1-carboxylic acid is O=C(NC1(C(=O)O)CCCC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[(2,4-dichlorobenzoyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is LIHHRDKLFTUFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO3/c14-8-3-4-9(10(15)7-8)11(17)16-13(12(18)19)5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H,16,17)(H,18,19).
What are the key properties of 1-[(2,4-dichlorobenzoyl)amino]cyclopentane-1-carboxylic acid?
1-[(2,4-dichlorobenzoyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 302.16 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorobenzoyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43329570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).