2-(2-amino-5-chloroanilino)benzoic acid

C13H11ClN2O2 — CID 59783721

IUPAC2-(2-amino-5-chloroanilino)benzoic acid
SMILESNc1ccc(Cl)cc1Nc1ccccc1C(=O)O
InChIInChI=1S/C13H11ClN2O2/c14-8-5-6-10(15)12(7-8)16-11-4-2-1-3-9(11)13(17)18/h1-7,16H,15H2,(H,17,18)
InChIKeyAIZJKQXQRRPELM-UHFFFAOYSA-N
MW262.70 g/mol
LogP3.36
Rot. Bonds3

About 2-(2-amino-5-chloroanilino)benzoic acid

2-(2-amino-5-chloroanilino)benzoic acid (PubChem CID 59783721) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is 2-(2-amino-5-chloroanilino)benzoic acid.

Molecular Properties

Compound Name2-(2-amino-5-chloroanilino)benzoic acid
PubChem CID59783721
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC Name2-(2-amino-5-chloroanilino)benzoic acid
SMILESNc1ccc(Cl)cc1Nc1ccccc1C(=O)O
InChIInChI=1S/C13H11ClN2O2/c14-8-5-6-10(15)12(7-8)16-11-4-2-1-3-9(11)13(17)18/h1-7,16H,15H2,(H,17,18)
InChIKeyAIZJKQXQRRPELM-UHFFFAOYSA-N
XLogP3.36
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromo-5-chloroanilino)benzoic acid
CID 81270365
2-(2-bromo-4-chloroanilino)benzoic acid
CID 81271359
4-chloro-2-N-phenylbenzene-1,2-diamine
CID 526554
2-anilinobenzoic acid;4-chloro-2-iodobenzoic acid
CID 70195825
2-[(2-aminophenyl)carbamoylamino]-5-chlorobenzoic acid
CID 61404300
2-(2-carboxyanilino)benzoic acid;methylsulfanylmethane
CID 144550401
4-chloro-2-N-(2-ethylphenyl)benzene-1,2-diamine
CID 115468565
2-[2-(2-carboxyanilino)-4,5-difluoroanilino]benzoic acid
CID 10385313
2-(2-bromoanilino)-5-chlorobenzoic acid
CID 55225473
2-[(5-chloro-2-fluorophenyl)carbamoylamino]benzoic acid
CID 61198828
4-amino-3-(5-chloro-2-methylanilino)benzoic acid
CID 82790344
2-[4,5-dicarbamoyl-2-(2-carboxyanilino)anilino]benzoic acid
CID 22076419

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-chloroanilino)benzoic acid?
The IUPAC name of 2-(2-amino-5-chloroanilino)benzoic acid (CID 59783721) is 2-(2-amino-5-chloroanilino)benzoic acid.
What is the SMILES notation for 2-(2-amino-5-chloroanilino)benzoic acid?
The canonical SMILES for 2-(2-amino-5-chloroanilino)benzoic acid is Nc1ccc(Cl)cc1Nc1ccccc1C(=O)O.
What is the InChIKey of 2-(2-amino-5-chloroanilino)benzoic acid?
The InChIKey is AIZJKQXQRRPELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c14-8-5-6-10(15)12(7-8)16-11-4-2-1-3-9(11)13(17)18/h1-7,16H,15H2,(H,17,18).
What are the key properties of 2-(2-amino-5-chloroanilino)benzoic acid?
2-(2-amino-5-chloroanilino)benzoic acid has a molecular weight of 262.70 g/mol, XLogP of 3.36, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-chloroanilino)benzoic acid is sourced from PubChem (CID 59783721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).