4-amino-3-(3-chloroanilino)benzoic acid

C13H11ClN2O2 — CID 82785514

IUPAC4-amino-3-(3-chloroanilino)benzoic acid
SMILESNc1ccc(C(=O)O)cc1Nc1cccc(Cl)c1
InChIInChI=1S/C13H11ClN2O2/c14-9-2-1-3-10(7-9)16-12-6-8(13(17)18)4-5-11(12)15/h1-7,16H,15H2,(H,17,18)
InChIKeyAAIPJBCETNNZCH-UHFFFAOYSA-N
MW262.70 g/mol
LogP3.36
Rot. Bonds3

About 4-amino-3-(3-chloroanilino)benzoic acid

4-amino-3-(3-chloroanilino)benzoic acid (PubChem CID 82785514) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is 4-amino-3-(3-chloroanilino)benzoic acid.

Molecular Properties

Compound Name4-amino-3-(3-chloroanilino)benzoic acid
PubChem CID82785514
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC Name4-amino-3-(3-chloroanilino)benzoic acid
SMILESNc1ccc(C(=O)O)cc1Nc1cccc(Cl)c1
InChIInChI=1S/C13H11ClN2O2/c14-9-2-1-3-10(7-9)16-12-6-8(13(17)18)4-5-11(12)15/h1-7,16H,15H2,(H,17,18)
InChIKeyAAIPJBCETNNZCH-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

4-amino-3-[3-(methoxymethyl)anilino]benzoic acid
CID 82784847
4-amino-3-(5-chloro-2-methylanilino)benzoic acid
CID 82790344
3-(4-amino-3-anilinophenyl)benzoic acid
CID 58425607
4-chloro-2-N-phenylbenzene-1,2-diamine
CID 526554
4-amino-3-(3-iodoanilino)benzamide
CID 63355912
4-amino-3-(4-bromo-3-methylanilino)benzoic acid
CID 82785938
ethyl 3-amino-4-(3-chloroanilino)benzoate
CID 61307975
4-amino-3-(2,6-dichloroanilino)benzamide
CID 65468318
4-(3-chloroanilino)-3,5-difluorobenzoic acid
CID 63184063
4-(3-chloroanilino)sulfanylbenzoic acid
CID 139505943
4-amino-3-(2,5-dichloro-4-methylanilino)benzoic acid
CID 104728053
2-amino-3-(3-chloroanilino)benzamide
CID 113332446

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(3-chloroanilino)benzoic acid?
The IUPAC name of 4-amino-3-(3-chloroanilino)benzoic acid (CID 82785514) is 4-amino-3-(3-chloroanilino)benzoic acid.
What is the SMILES notation for 4-amino-3-(3-chloroanilino)benzoic acid?
The canonical SMILES for 4-amino-3-(3-chloroanilino)benzoic acid is Nc1ccc(C(=O)O)cc1Nc1cccc(Cl)c1.
What is the InChIKey of 4-amino-3-(3-chloroanilino)benzoic acid?
The InChIKey is AAIPJBCETNNZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c14-9-2-1-3-10(7-9)16-12-6-8(13(17)18)4-5-11(12)15/h1-7,16H,15H2,(H,17,18).
What are the key properties of 4-amino-3-(3-chloroanilino)benzoic acid?
4-amino-3-(3-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 4-amino-3-(3-chloroanilino)benzoic acid is sourced from PubChem (CID 82785514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).