2-chloro-4-[(3-methylcyclopentyl)amino]benzoic acid

C13H16ClNO2 — CID 114541224

IUPAC2-chloro-4-[(3-methylcyclopentyl)amino]benzoic acid
SMILESCC1CCC(Nc2ccc(C(=O)O)c(Cl)c2)C1
InChIInChI=1S/C13H16ClNO2/c1-8-2-3-9(6-8)15-10-4-5-11(13(16)17)12(14)7-10/h4-5,7-9,15H,2-3,6H2,1H3,(H,16,17)
InChIKeyOWTCWQRNCDGKQL-UHFFFAOYSA-N
MW253.73 g/mol
LogP3.64
Rot. Bonds3

About 2-chloro-4-[(3-methylcyclopentyl)amino]benzoic acid

2-chloro-4-[(3-methylcyclopentyl)amino]benzoic acid (PubChem CID 114541224) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 2-chloro-4-[(3-methylcyclopentyl)amino]benzoic acid.

Molecular Properties

Compound Name2-chloro-4-[(3-methylcyclopentyl)amino]benzoic acid
PubChem CID114541224
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name2-chloro-4-[(3-methylcyclopentyl)amino]benzoic acid
SMILESCC1CCC(Nc2ccc(C(=O)O)c(Cl)c2)C1
InChIInChI=1S/C13H16ClNO2/c1-8-2-3-9(6-8)15-10-4-5-11(13(16)17)12(14)7-10/h4-5,7-9,15H,2-3,6H2,1H3,(H,16,17)
InChIKeyOWTCWQRNCDGKQL-UHFFFAOYSA-N
XLogP3.64
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-[(4-methylcycloheptyl)amino]benzoic acid
CID 114101995
2-methyl-4-[(3-methylcyclopentyl)amino]benzoic acid
CID 114541219
2-chloro-4-[(3-methylcyclopentyl)carbamoylamino]benzoic acid
CID 114548831
2-chloro-4-[(3-methoxycyclopentyl)amino]benzoic acid
CID 114118376
2-chloro-5-[(3-methylcyclobutyl)amino]benzoic acid
CID 103561486
2-chloro-4-(oxolan-3-ylamino)benzoic acid
CID 80715849
2-chloro-4-[(3-methylcyclohexyl)methylamino]benzoic acid
CID 114131828
5-chloro-2-[(3-methylcyclopentyl)amino]pyridine-4-carboxylic acid
CID 114920054
4-[(3,4-dimethylcyclohexyl)amino]-2-methylbenzoic acid
CID 81282708
4-amino-2-[(3-methylcyclopentyl)amino]benzoic acid
CID 114550813
2-chloro-4-[[4-(methylamino)cyclohexyl]amino]benzamide
CID 79111094
4-[(3,4-dimethylcyclohexyl)amino]-2-fluorobenzoic acid
CID 115485504

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(3-methylcyclopentyl)amino]benzoic acid?
The IUPAC name of 2-chloro-4-[(3-methylcyclopentyl)amino]benzoic acid (CID 114541224) is 2-chloro-4-[(3-methylcyclopentyl)amino]benzoic acid.
What is the SMILES notation for 2-chloro-4-[(3-methylcyclopentyl)amino]benzoic acid?
The canonical SMILES for 2-chloro-4-[(3-methylcyclopentyl)amino]benzoic acid is CC1CCC(Nc2ccc(C(=O)O)c(Cl)c2)C1.
What is the InChIKey of 2-chloro-4-[(3-methylcyclopentyl)amino]benzoic acid?
The InChIKey is OWTCWQRNCDGKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-8-2-3-9(6-8)15-10-4-5-11(13(16)17)12(14)7-10/h4-5,7-9,15H,2-3,6H2,1H3,(H,16,17).
What are the key properties of 2-chloro-4-[(3-methylcyclopentyl)amino]benzoic acid?
2-chloro-4-[(3-methylcyclopentyl)amino]benzoic acid has a molecular weight of 253.73 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(3-methylcyclopentyl)amino]benzoic acid is sourced from PubChem (CID 114541224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).