2-[(3-chloro-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid

C14H16ClNO3 — CID 64815140

IUPAC2-[(3-chloro-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESCc1ccc(C(=O)NC2CCCC2C(=O)O)cc1Cl
InChIInChI=1S/C14H16ClNO3/c1-8-5-6-9(7-11(8)15)13(17)16-12-4-2-3-10(12)14(18)19/h5-7,10,12H,2-4H2,1H3,(H,16,17)(H,18,19)
InChIKeyJLTMETCZIQLBKZ-UHFFFAOYSA-N
MW281.74 g/mol
LogP2.63
Rot. Bonds3

About 2-[(3-chloro-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid

2-[(3-chloro-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 64815140) has the molecular formula C14H16ClNO3 and a molecular weight of 281.74 g/mol. Its IUPAC name is 2-[(3-chloro-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3-chloro-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
PubChem CID64815140
Molecular FormulaC14H16ClNO3
Molecular Weight281.74 g/mol
Exact Mass281.08
IUPAC Name2-[(3-chloro-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESCc1ccc(C(=O)NC2CCCC2C(=O)O)cc1Cl
InChIInChI=1S/C14H16ClNO3/c1-8-5-6-9(7-11(8)15)13(17)16-12-4-2-3-10(12)14(18)19/h5-7,10,12H,2-4H2,1H3,(H,16,17)(H,18,19)
InChIKeyJLTMETCZIQLBKZ-UHFFFAOYSA-N
XLogP2.63
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(3-chloro-4-methylbenzoyl)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

3-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methylbenzamide
CID 104956646
cis-(1S,2R)-2-[(3-acetamido-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 136582322
2-[(3-bromo-4-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 114025733
2-[(3-chloro-4-fluorobenzoyl)amino]cycloheptane-1-carboxylic acid
CID 82872618
4-[(3-chloro-4-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63194787
2-[(3-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64812501
2-benzamidocyclopentane-1-carboxylic acid
CID 64812220
3-hydroxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methylbenzamide
CID 76978373
4-chloro-N-(2-chlorocyclopentyl)-3-methylbenzamide
CID 106444087
4-[(3-chloro-4-methylbenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79209119
trans-(1S,2S)-2-[(4-fluoro-3-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 124572084
N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-chloro-4-methylbenzamide
CID 155912978

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(3-chloro-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid (CID 64815140) is 2-[(3-chloro-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(3-chloro-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(3-chloro-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid is Cc1ccc(C(=O)NC2CCCC2C(=O)O)cc1Cl.
What is the InChIKey of 2-[(3-chloro-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is JLTMETCZIQLBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO3/c1-8-5-6-9(7-11(8)15)13(17)16-12-4-2-3-10(12)14(18)19/h5-7,10,12H,2-4H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(3-chloro-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid?
2-[(3-chloro-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 281.74 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64815140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).