2-chloro-4-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]benzoic acid

C14H12Cl2N2O3 — CID 61398429

IUPAC2-chloro-4-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]benzoic acid
SMILESCCn1cc(Cl)cc1C(=O)Nc1ccc(C(=O)O)c(Cl)c1
InChIInChI=1S/C14H12Cl2N2O3/c1-2-18-7-8(15)5-12(18)13(19)17-9-3-4-10(14(20)21)11(16)6-9/h3-7H,2H2,1H3,(H,17,19)(H,20,21)
InChIKeyGGVALRZALCBUEH-UHFFFAOYSA-N
MW327.17 g/mol
LogP3.77
Rot. Bonds4

About 2-chloro-4-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]benzoic acid

2-chloro-4-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]benzoic acid (PubChem CID 61398429) has the molecular formula C14H12Cl2N2O3 and a molecular weight of 327.17 g/mol. Its IUPAC name is 2-chloro-4-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-chloro-4-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]benzoic acid
PubChem CID61398429
Molecular FormulaC14H12Cl2N2O3
Molecular Weight327.17 g/mol
Exact Mass326.02
IUPAC Name2-chloro-4-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]benzoic acid
SMILESCCn1cc(Cl)cc1C(=O)Nc1ccc(C(=O)O)c(Cl)c1
InChIInChI=1S/C14H12Cl2N2O3/c1-2-18-7-8(15)5-12(18)13(19)17-9-3-4-10(14(20)21)11(16)6-9/h3-7H,2H2,1H3,(H,17,19)(H,20,21)
InChIKeyGGVALRZALCBUEH-UHFFFAOYSA-N
XLogP3.77
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-chloro-4-[(4-chloro-1-ethylpyrrole-2-carbonyl)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-chloro-4-[(1-ethylpyrrole-2-carbonyl)amino]benzoic acid
CID 61398408
4-chloro-1-ethyl-N-[4-(hydroxymethyl)phenyl]pyrrole-2-carboxamide
CID 64794682
2-[5-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]-2-pyridinyl]acetic acid
CID 107338885
N-(3-bromo-5-methylphenyl)-4-chloro-1-ethylpyrrole-2-carboxamide
CID 107583826
4-amino-N-(3-chloro-4-methoxyphenyl)-1-ethylpyrrole-2-carboxamide
CID 43642694
2-chloro-4-[(3,5-diethoxybenzoyl)amino]benzoic acid
CID 28675057
2-chloro-4-[(1,5-dimethylpyrazole-4-carbonyl)amino]benzoic acid
CID 61398585
2-chloro-4-[[2-(2-methoxyethylsulfanyl)acetyl]amino]benzoic acid
CID 61398427
4-bromo-N-(3-chlorophenyl)-1-ethylpyrrole-2-carboxamide
CID 43641006
2-chloro-4-(2-methylprop-2-enoylamino)benzoic acid
CID 20793404
2-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid
CID 61262853
2-chloro-4-[(3-chlorobenzoyl)amino]benzoic acid
CID 28667452

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]benzoic acid?
The IUPAC name of 2-chloro-4-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]benzoic acid (CID 61398429) is 2-chloro-4-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-chloro-4-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-chloro-4-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]benzoic acid is CCn1cc(Cl)cc1C(=O)Nc1ccc(C(=O)O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]benzoic acid?
The InChIKey is GGVALRZALCBUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O3/c1-2-18-7-8(15)5-12(18)13(19)17-9-3-4-10(14(20)21)11(16)6-9/h3-7H,2H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 2-chloro-4-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]benzoic acid?
2-chloro-4-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]benzoic acid has a molecular weight of 327.17 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 61398429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).