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

C14H17ClN2O3 — CID 114548831

IUPAC2-chloro-4-[(3-methylcyclopentyl)carbamoylamino]benzoic acid
SMILESCC1CCC(NC(=O)Nc2ccc(C(=O)O)c(Cl)c2)C1
InChIInChI=1S/C14H17ClN2O3/c1-8-2-3-9(6-8)16-14(20)17-10-4-5-11(13(18)19)12(15)7-10/h4-5,7-9H,2-3,6H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyGOQUONDUSYYQSA-UHFFFAOYSA-N
MW296.75 g/mol
LogP3.35
Rot. Bonds3

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

2-chloro-4-[(3-methylcyclopentyl)carbamoylamino]benzoic acid (PubChem CID 114548831) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is 2-chloro-4-[(3-methylcyclopentyl)carbamoylamino]benzoic acid.

Molecular Properties

Compound Name2-chloro-4-[(3-methylcyclopentyl)carbamoylamino]benzoic acid
PubChem CID114548831
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name2-chloro-4-[(3-methylcyclopentyl)carbamoylamino]benzoic acid
SMILESCC1CCC(NC(=O)Nc2ccc(C(=O)O)c(Cl)c2)C1
InChIInChI=1S/C14H17ClN2O3/c1-8-2-3-9(6-8)16-14(20)17-10-4-5-11(13(18)19)12(15)7-10/h4-5,7-9H,2-3,6H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyGOQUONDUSYYQSA-UHFFFAOYSA-N
XLogP3.35
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2-chloro-4-[(3-methylcyclopentyl)carbamoylamino]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-chloro-4-[(3-methylcyclopentyl)amino]benzoic acid
CID 114541224
2-chloro-4-(oxan-4-ylcarbamoylamino)benzoic acid
CID 61399256
3,5-dichloro-2-[(3-methylcyclopentyl)carbamoylamino]benzoic acid
CID 114548806
1-(3-chloro-4-methylphenyl)-3-cyclopropylurea
CID 6469220
4-fluoro-2-[(3-methylcyclopentyl)carbamoylamino]benzoic acid
CID 114548882
1-(4-acetyl-3-chlorophenyl)-3-[(1S,3R)-3-methoxycyclopentyl]urea
CID 99829008
1-(4-acetyl-3-chlorophenyl)-3-[(1R,3R)-3-methoxycyclopentyl]urea
CID 99829007
2-chloro-4-[(4-methylcycloheptyl)amino]benzoic acid
CID 114101995
2-fluoro-5-[(4-methylcyclohexyl)carbamoylamino]benzoic acid
CID 61185098
2-hydroxy-5-[(3-methylcyclobutyl)carbamoylamino]benzoic acid
CID 113467378
5-bromo-2-[(3-methylcyclopentyl)carbamoylamino]benzoic acid
CID 114548823
2-chloro-4-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)benzoic acid
CID 80714501

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(3-methylcyclopentyl)carbamoylamino]benzoic acid?
The IUPAC name of 2-chloro-4-[(3-methylcyclopentyl)carbamoylamino]benzoic acid (CID 114548831) is 2-chloro-4-[(3-methylcyclopentyl)carbamoylamino]benzoic acid.
What is the SMILES notation for 2-chloro-4-[(3-methylcyclopentyl)carbamoylamino]benzoic acid?
The canonical SMILES for 2-chloro-4-[(3-methylcyclopentyl)carbamoylamino]benzoic acid is CC1CCC(NC(=O)Nc2ccc(C(=O)O)c(Cl)c2)C1.
What is the InChIKey of 2-chloro-4-[(3-methylcyclopentyl)carbamoylamino]benzoic acid?
The InChIKey is GOQUONDUSYYQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c1-8-2-3-9(6-8)16-14(20)17-10-4-5-11(13(18)19)12(15)7-10/h4-5,7-9H,2-3,6H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-chloro-4-[(3-methylcyclopentyl)carbamoylamino]benzoic acid?
2-chloro-4-[(3-methylcyclopentyl)carbamoylamino]benzoic acid has a molecular weight of 296.75 g/mol, XLogP of 3.35, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(3-methylcyclopentyl)carbamoylamino]benzoic acid is sourced from PubChem (CID 114548831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).