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

C14H13ClN2O3 — CID 61398408

IUPAC2-chloro-4-[(1-ethylpyrrole-2-carbonyl)amino]benzoic acid
SMILESCCn1cccc1C(=O)Nc1ccc(C(=O)O)c(Cl)c1
InChIInChI=1S/C14H13ClN2O3/c1-2-17-7-3-4-12(17)13(18)16-9-5-6-10(14(19)20)11(15)8-9/h3-8H,2H2,1H3,(H,16,18)(H,19,20)
InChIKeyCHAJTWAXRHTSGU-UHFFFAOYSA-N
MW292.72 g/mol
LogP3.11
Rot. Bonds4

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

2-chloro-4-[(1-ethylpyrrole-2-carbonyl)amino]benzoic acid (PubChem CID 61398408) has the molecular formula C14H13ClN2O3 and a molecular weight of 292.72 g/mol. Its IUPAC name is 2-chloro-4-[(1-ethylpyrrole-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-chloro-4-[(1-ethylpyrrole-2-carbonyl)amino]benzoic acid
PubChem CID61398408
Molecular FormulaC14H13ClN2O3
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Name2-chloro-4-[(1-ethylpyrrole-2-carbonyl)amino]benzoic acid
SMILESCCn1cccc1C(=O)Nc1ccc(C(=O)O)c(Cl)c1
InChIInChI=1S/C14H13ClN2O3/c1-2-17-7-3-4-12(17)13(18)16-9-5-6-10(14(19)20)11(15)8-9/h3-8H,2H2,1H3,(H,16,18)(H,19,20)
InChIKeyCHAJTWAXRHTSGU-UHFFFAOYSA-N
XLogP3.11
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]benzoic acid
CID 61398429
1-ethyl-N-(4-iodophenyl)pyrrole-2-carboxamide
CID 61400251
2-fluoro-5-[(1-propylpyrrole-2-carbonyl)amino]benzoic acid
CID 60825640
N-(2-chloro-4-iodophenyl)-1-ethylpyrrole-2-carboxamide
CID 107606836
methyl 4-[(1-ethylpyrrole-2-carbonyl)amino]benzoate
CID 43638981
3-bromo-2-[(1-ethylpyrrole-2-carbonyl)amino]benzoic acid
CID 63112812
N-(3,5-dichloro-2-hydroxyphenyl)-1-ethylpyrrole-2-carboxamide
CID 107675583
1-ethyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrole-2-carboxamide
CID 63931240
2-chloro-4-[[2-(2-methoxyethylsulfanyl)acetyl]amino]benzoic acid
CID 61398427
2-chloro-4-[(1,5-dimethylpyrazole-4-carbonyl)amino]benzoic acid
CID 61398585
2-chloro-4-[(3,5-diethoxybenzoyl)amino]benzoic acid
CID 28675057
2-chloro-4-(2-methylprop-2-enoylamino)benzoic acid
CID 20793404

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(1-ethylpyrrole-2-carbonyl)amino]benzoic acid?
The IUPAC name of 2-chloro-4-[(1-ethylpyrrole-2-carbonyl)amino]benzoic acid (CID 61398408) is 2-chloro-4-[(1-ethylpyrrole-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-chloro-4-[(1-ethylpyrrole-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-chloro-4-[(1-ethylpyrrole-2-carbonyl)amino]benzoic acid is CCn1cccc1C(=O)Nc1ccc(C(=O)O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-[(1-ethylpyrrole-2-carbonyl)amino]benzoic acid?
The InChIKey is CHAJTWAXRHTSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3/c1-2-17-7-3-4-12(17)13(18)16-9-5-6-10(14(19)20)11(15)8-9/h3-8H,2H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 2-chloro-4-[(1-ethylpyrrole-2-carbonyl)amino]benzoic acid?
2-chloro-4-[(1-ethylpyrrole-2-carbonyl)amino]benzoic acid has a molecular weight of 292.72 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(1-ethylpyrrole-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 61398408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).