3-chloro-2-[(1-methylcyclopentanecarbonyl)amino]benzoic acid

C14H16ClNO3 — CID 107046344

IUPAC3-chloro-2-[(1-methylcyclopentanecarbonyl)amino]benzoic acid
SMILESCC1(C(=O)Nc2c(Cl)cccc2C(=O)O)CCCC1
InChIInChI=1S/C14H16ClNO3/c1-14(7-2-3-8-14)13(19)16-11-9(12(17)18)5-4-6-10(11)15/h4-6H,2-3,7-8H2,1H3,(H,16,19)(H,17,18)
InChIKeyRRNQPACJMJPHTF-UHFFFAOYSA-N
MW281.74 g/mol
LogP3.56
Rot. Bonds3

About 3-chloro-2-[(1-methylcyclopentanecarbonyl)amino]benzoic acid

3-chloro-2-[(1-methylcyclopentanecarbonyl)amino]benzoic acid (PubChem CID 107046344) has the molecular formula C14H16ClNO3 and a molecular weight of 281.74 g/mol. Its IUPAC name is 3-chloro-2-[(1-methylcyclopentanecarbonyl)amino]benzoic acid.

Molecular Properties

Compound Name3-chloro-2-[(1-methylcyclopentanecarbonyl)amino]benzoic acid
PubChem CID107046344
Molecular FormulaC14H16ClNO3
Molecular Weight281.74 g/mol
Exact Mass281.08
IUPAC Name3-chloro-2-[(1-methylcyclopentanecarbonyl)amino]benzoic acid
SMILESCC1(C(=O)Nc2c(Cl)cccc2C(=O)O)CCCC1
InChIInChI=1S/C14H16ClNO3/c1-14(7-2-3-8-14)13(19)16-11-9(12(17)18)5-4-6-10(11)15/h4-6H,2-3,7-8H2,1H3,(H,16,19)(H,17,18)
InChIKeyRRNQPACJMJPHTF-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-chloro-2-[(1-methylcyclopentanecarbonyl)amino]benzoic 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

N-(2,3-dichlorophenyl)-1-methylcyclohexane-1-carboxamide
CID 141000204
N-(2-chloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide
CID 102261285
N-(2-chloro-6-methylphenyl)-1-phenylcyclopentane-1-carboxamide
CID 4060747
3-chloro-2-[(2-methylbenzoyl)amino]benzoic acid
CID 23208226
5-methyl-2-[(1-methylcyclohexanecarbonyl)amino]benzoic acid
CID 106826163
N-(2-chloro-6-methylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 66256845
(2-chlorophenyl)-(1-methylcyclohexyl)methanone
CID 22173260
3-chloro-2-(prop-2-enoylamino)benzoic acid
CID 107047054
2-(bicyclo[3.1.0]hexane-3-carbonylamino)-3-chlorobenzoic acid
CID 107046386
5-fluoro-2-[(1-methylcyclohexanecarbonyl)amino]benzoic acid
CID 106826165
2-(3-carboxypropanoylamino)-3-chlorobenzoic acid
CID 110465790
2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-3-fluorobenzoic acid
CID 115435469

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(1-methylcyclopentanecarbonyl)amino]benzoic acid?
The IUPAC name of 3-chloro-2-[(1-methylcyclopentanecarbonyl)amino]benzoic acid (CID 107046344) is 3-chloro-2-[(1-methylcyclopentanecarbonyl)amino]benzoic acid.
What is the SMILES notation for 3-chloro-2-[(1-methylcyclopentanecarbonyl)amino]benzoic acid?
The canonical SMILES for 3-chloro-2-[(1-methylcyclopentanecarbonyl)amino]benzoic acid is CC1(C(=O)Nc2c(Cl)cccc2C(=O)O)CCCC1.
What is the InChIKey of 3-chloro-2-[(1-methylcyclopentanecarbonyl)amino]benzoic acid?
The InChIKey is RRNQPACJMJPHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO3/c1-14(7-2-3-8-14)13(19)16-11-9(12(17)18)5-4-6-10(11)15/h4-6H,2-3,7-8H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 3-chloro-2-[(1-methylcyclopentanecarbonyl)amino]benzoic acid?
3-chloro-2-[(1-methylcyclopentanecarbonyl)amino]benzoic acid has a molecular weight of 281.74 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(1-methylcyclopentanecarbonyl)amino]benzoic acid is sourced from PubChem (CID 107046344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).