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

C14H17ClN2O4 — CID 62088259

IUPAC4-chloro-3-[(2-methoxycyclopentyl)carbamoylamino]benzoic acid
SMILESCOC1CCCC1NC(=O)Nc1cc(C(=O)O)ccc1Cl
InChIInChI=1S/C14H17ClN2O4/c1-21-12-4-2-3-10(12)16-14(20)17-11-7-8(13(18)19)5-6-9(11)15/h5-7,10,12H,2-4H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyTZIRLODHECMFGB-UHFFFAOYSA-N
MW312.75 g/mol
LogP2.73
Rot. Bonds4

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

4-chloro-3-[(2-methoxycyclopentyl)carbamoylamino]benzoic acid (PubChem CID 62088259) has the molecular formula C14H17ClN2O4 and a molecular weight of 312.75 g/mol. Its IUPAC name is 4-chloro-3-[(2-methoxycyclopentyl)carbamoylamino]benzoic acid.

Molecular Properties

Compound Name4-chloro-3-[(2-methoxycyclopentyl)carbamoylamino]benzoic acid
PubChem CID62088259
Molecular FormulaC14H17ClN2O4
Molecular Weight312.75 g/mol
Exact Mass312.09
IUPAC Name4-chloro-3-[(2-methoxycyclopentyl)carbamoylamino]benzoic acid
SMILESCOC1CCCC1NC(=O)Nc1cc(C(=O)O)ccc1Cl
InChIInChI=1S/C14H17ClN2O4/c1-21-12-4-2-3-10(12)16-14(20)17-11-7-8(13(18)19)5-6-9(11)15/h5-7,10,12H,2-4H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyTZIRLODHECMFGB-UHFFFAOYSA-N
XLogP2.73
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.75
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

4-chloro-3-(cyclobutylcarbamoylamino)benzoic acid
CID 62415793
4-chloro-3-[(3-methylcyclobutyl)carbamoylamino]benzoic acid
CID 113467373
4-[[[(1R,2R)-2-methoxycyclopentyl]carbamoylamino]methyl]benzoic acid
CID 122016522
4-bromo-3-[(2-methylcyclopentyl)carbamoylamino]benzoic acid
CID 107814156
4-chloro-3-[[2-[(2-methylcyclopentyl)amino]acetyl]amino]benzoic acid
CID 103251317
3-[(2-hydroxycyclohexyl)carbamoylamino]-4-methylbenzoic acid
CID 62360558
4-hydroxy-N-(2-methoxycyclopentyl)benzamide
CID 62087188
3-(tert-butylcarbamoylamino)-4-chlorobenzoic acid
CID 28786246
1-(2,5-dichlorophenyl)-3-[2-(hydroxymethyl)cyclopentyl]urea
CID 103709932
3-[[(2-methoxycyclopentyl)amino]methyl]benzoic acid
CID 103248532
4-fluoro-3-[(2-methylcyclohexyl)carbamoylamino]benzoic acid
CID 61190333
3-bromo-2-[(2-methoxycyclopentyl)carbamoylamino]benzoic acid
CID 63113766

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(2-methoxycyclopentyl)carbamoylamino]benzoic acid?
The IUPAC name of 4-chloro-3-[(2-methoxycyclopentyl)carbamoylamino]benzoic acid (CID 62088259) is 4-chloro-3-[(2-methoxycyclopentyl)carbamoylamino]benzoic acid.
What is the SMILES notation for 4-chloro-3-[(2-methoxycyclopentyl)carbamoylamino]benzoic acid?
The canonical SMILES for 4-chloro-3-[(2-methoxycyclopentyl)carbamoylamino]benzoic acid is COC1CCCC1NC(=O)Nc1cc(C(=O)O)ccc1Cl.
What is the InChIKey of 4-chloro-3-[(2-methoxycyclopentyl)carbamoylamino]benzoic acid?
The InChIKey is TZIRLODHECMFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O4/c1-21-12-4-2-3-10(12)16-14(20)17-11-7-8(13(18)19)5-6-9(11)15/h5-7,10,12H,2-4H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 4-chloro-3-[(2-methoxycyclopentyl)carbamoylamino]benzoic acid?
4-chloro-3-[(2-methoxycyclopentyl)carbamoylamino]benzoic acid has a molecular weight of 312.75 g/mol, XLogP of 2.73, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(2-methoxycyclopentyl)carbamoylamino]benzoic acid is sourced from PubChem (CID 62088259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).