5-chloro-2-[(2,3-dimethylcyclopentyl)amino]benzoic acid

C14H18ClNO2 — CID 64921035

IUPAC5-chloro-2-[(2,3-dimethylcyclopentyl)amino]benzoic acid
SMILESCC1CCC(Nc2ccc(Cl)cc2C(=O)O)C1C
InChIInChI=1S/C14H18ClNO2/c1-8-3-5-12(9(8)2)16-13-6-4-10(15)7-11(13)14(17)18/h4,6-9,12,16H,3,5H2,1-2H3,(H,17,18)
InChIKeyKXSKRJDNCRUDKD-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.88
Rot. Bonds3

About 5-chloro-2-[(2,3-dimethylcyclopentyl)amino]benzoic acid

5-chloro-2-[(2,3-dimethylcyclopentyl)amino]benzoic acid (PubChem CID 64921035) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 5-chloro-2-[(2,3-dimethylcyclopentyl)amino]benzoic acid.

Molecular Properties

Compound Name5-chloro-2-[(2,3-dimethylcyclopentyl)amino]benzoic acid
PubChem CID64921035
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name5-chloro-2-[(2,3-dimethylcyclopentyl)amino]benzoic acid
SMILESCC1CCC(Nc2ccc(Cl)cc2C(=O)O)C1C
InChIInChI=1S/C14H18ClNO2/c1-8-3-5-12(9(8)2)16-13-6-4-10(15)7-11(13)14(17)18/h4,6-9,12,16H,3,5H2,1-2H3,(H,17,18)
InChIKeyKXSKRJDNCRUDKD-UHFFFAOYSA-N
XLogP3.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-chloro-2-[(2,3-dimethylcyclopentyl)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

2-[(2,3-dimethylcyclopentyl)amino]-5-fluorobenzoic acid
CID 64922679
5-chloro-N-(2,3-dimethylcyclopentyl)-2-hydrazinylbenzamide
CID 64920702
5-chloro-2-[(2,3-dimethylcyclopentyl)amino]benzonitrile
CID 64908917
5-chloro-2-[[2-(hydroxymethyl)cyclohexyl]amino]benzoic acid
CID 114178785
5-chloro-2-(2,3-dihydro-1H-inden-2-ylamino)benzoic acid
CID 107853439
6-chloro-2-[(2,3-dimethylcyclopentyl)amino]pyridine-3-carboxylic acid
CID 64923401
2-[(2,3-dimethylcyclopentyl)amino]-3-fluorobenzoic acid
CID 64920642
2-[(2,3-dimethylcyclopentyl)amino]-6-fluorobenzoic acid
CID 79511448
4-chloro-N-(2,3-dimethylcyclohexyl)-2-iodoaniline
CID 107631533
2-chloro-5-[(2,3-dimethylcyclohexyl)amino]benzoic acid
CID 64761654
2-[(2-methylcyclopropyl)amino]-5-(trifluoromethyl)benzoic acid
CID 62710809
5-chloro-2-[(3-methylsulfanylcyclohexyl)amino]benzoic acid
CID 114123496

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(2,3-dimethylcyclopentyl)amino]benzoic acid?
The IUPAC name of 5-chloro-2-[(2,3-dimethylcyclopentyl)amino]benzoic acid (CID 64921035) is 5-chloro-2-[(2,3-dimethylcyclopentyl)amino]benzoic acid.
What is the SMILES notation for 5-chloro-2-[(2,3-dimethylcyclopentyl)amino]benzoic acid?
The canonical SMILES for 5-chloro-2-[(2,3-dimethylcyclopentyl)amino]benzoic acid is CC1CCC(Nc2ccc(Cl)cc2C(=O)O)C1C.
What is the InChIKey of 5-chloro-2-[(2,3-dimethylcyclopentyl)amino]benzoic acid?
The InChIKey is KXSKRJDNCRUDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-8-3-5-12(9(8)2)16-13-6-4-10(15)7-11(13)14(17)18/h4,6-9,12,16H,3,5H2,1-2H3,(H,17,18).
What are the key properties of 5-chloro-2-[(2,3-dimethylcyclopentyl)amino]benzoic acid?
5-chloro-2-[(2,3-dimethylcyclopentyl)amino]benzoic acid has a molecular weight of 267.76 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(2,3-dimethylcyclopentyl)amino]benzoic acid is sourced from PubChem (CID 64921035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).