2-(2-carboxyanilino)-4-chlorobenzoic acid

C14H10ClNO4 — CID 3946

💊View drug profile → lobenzarit
IUPAC2-(2-carboxyanilino)-4-chlorobenzoic acid
SMILESO=C(O)c1ccccc1Nc1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C14H10ClNO4/c15-8-5-6-10(14(19)20)12(7-8)16-11-4-2-1-3-9(11)13(17)18/h1-7,16H,(H,17,18)(H,19,20)
InChIKeyUGDPYGKWIHHBMB-UHFFFAOYSA-N
MW291.69 g/mol
LogP3.48
Rot. Bonds4

About 2-(2-carboxyanilino)-4-chlorobenzoic acid

2-(2-carboxyanilino)-4-chlorobenzoic acid (PubChem CID 3946) has the molecular formula C14H10ClNO4 and a molecular weight of 291.69 g/mol. Its IUPAC name is 2-(2-carboxyanilino)-4-chlorobenzoic acid.

Molecular Properties

Compound Name2-(2-carboxyanilino)-4-chlorobenzoic acid
PubChem CID3946
Molecular FormulaC14H10ClNO4
Molecular Weight291.69 g/mol
Exact Mass291.03
IUPAC Name2-(2-carboxyanilino)-4-chlorobenzoic acid
SMILESO=C(O)c1ccccc1Nc1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C14H10ClNO4/c15-8-5-6-10(14(19)20)12(7-8)16-11-4-2-1-3-9(11)13(17)18/h1-7,16H,(H,17,18)(H,19,20)
InChIKeyUGDPYGKWIHHBMB-UHFFFAOYSA-N
XLogP3.48
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.69
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Mefenamic Acid
CID 4044
Flufenamic Acid
CID 3371
Meclofenamate Sodium
CID 4038
Meclofenamic Acid
CID 4037
Tolfenamic Acid
CID 610479
N-Phenylanthranilic Acid
CID 4386
Enfenamic Acid
CID 31635
2-(Benzoylamino)benzoic acid
CID 68482
Lobenzarit Sodium
CID 47462
Diphenylamine-2,2'-dicarboxylic acid
CID 11371
2-Amino-4-chlorobenzoic acid
CID 66646
2-((3-Carboxyphenyl)amino)benzoic acid
CID 97298

Frequently Asked Questions

What is the IUPAC name of 2-(2-carboxyanilino)-4-chlorobenzoic acid?
The IUPAC name of 2-(2-carboxyanilino)-4-chlorobenzoic acid (CID 3946) is 2-(2-carboxyanilino)-4-chlorobenzoic acid.
What is the SMILES notation for 2-(2-carboxyanilino)-4-chlorobenzoic acid?
The canonical SMILES for 2-(2-carboxyanilino)-4-chlorobenzoic acid is O=C(O)c1ccccc1Nc1cc(Cl)ccc1C(=O)O.
What is the InChIKey of 2-(2-carboxyanilino)-4-chlorobenzoic acid?
The InChIKey is UGDPYGKWIHHBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO4/c15-8-5-6-10(14(19)20)12(7-8)16-11-4-2-1-3-9(11)13(17)18/h1-7,16H,(H,17,18)(H,19,20).
What are the key properties of 2-(2-carboxyanilino)-4-chlorobenzoic acid?
2-(2-carboxyanilino)-4-chlorobenzoic acid has a molecular weight of 291.69 g/mol, XLogP of 3.48, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carboxyanilino)-4-chlorobenzoic acid is sourced from PubChem (CID 3946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).