4-amino-3-(5-chloro-2-methylanilino)benzoic acid

C14H13ClN2O2 — CID 82790344

IUPAC4-amino-3-(5-chloro-2-methylanilino)benzoic acid
SMILESCc1ccc(Cl)cc1Nc1cc(C(=O)O)ccc1N
InChIInChI=1S/C14H13ClN2O2/c1-8-2-4-10(15)7-12(8)17-13-6-9(14(18)19)3-5-11(13)16/h2-7,17H,16H2,1H3,(H,18,19)
InChIKeyUMMOYRYTXHIROY-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.67
Rot. Bonds3

About 4-amino-3-(5-chloro-2-methylanilino)benzoic acid

4-amino-3-(5-chloro-2-methylanilino)benzoic acid (PubChem CID 82790344) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 4-amino-3-(5-chloro-2-methylanilino)benzoic acid.

Molecular Properties

Compound Name4-amino-3-(5-chloro-2-methylanilino)benzoic acid
PubChem CID82790344
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name4-amino-3-(5-chloro-2-methylanilino)benzoic acid
SMILESCc1ccc(Cl)cc1Nc1cc(C(=O)O)ccc1N
InChIInChI=1S/C14H13ClN2O2/c1-8-2-4-10(15)7-12(8)17-13-6-9(14(18)19)3-5-11(13)16/h2-7,17H,16H2,1H3,(H,18,19)
InChIKeyUMMOYRYTXHIROY-UHFFFAOYSA-N
XLogP3.67
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.67
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

3-(5-chloro-2-methylanilino)-4-fluorobenzoic acid
CID 82536296
4-amino-3-(2,5-dichloro-4-methylanilino)benzoic acid
CID 104728053
4-amino-3-(3-chloroanilino)benzoic acid
CID 82785514
4-chloro-2-N-[2-methyl-5-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 115469106
3-amino-4-(2,5-dichloroanilino)benzoic acid
CID 54888772
4-chloro-1-N-(5-chloro-2-methylphenyl)benzene-1,2-diamine
CID 29067539
4-[(5-chloro-2-methylphenyl)carbamoyl]benzoic acid
CID 43386540
ethyl 4-(2-amino-5-chloroanilino)benzoate
CID 69243688
2-(2-amino-5-chloroanilino)benzoic acid
CID 59783721
4-amino-3-(2-bromo-5-methylanilino)benzoic acid
CID 82796286
3-[2-(5-carboxy-2-methylphenyl)hydrazinyl]-4-methylbenzoic acid
CID 134880122
N-(2-amino-5-chlorophenyl)-3-fluoro-4-methylbenzamide
CID 16771232

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(5-chloro-2-methylanilino)benzoic acid?
The IUPAC name of 4-amino-3-(5-chloro-2-methylanilino)benzoic acid (CID 82790344) is 4-amino-3-(5-chloro-2-methylanilino)benzoic acid.
What is the SMILES notation for 4-amino-3-(5-chloro-2-methylanilino)benzoic acid?
The canonical SMILES for 4-amino-3-(5-chloro-2-methylanilino)benzoic acid is Cc1ccc(Cl)cc1Nc1cc(C(=O)O)ccc1N.
What is the InChIKey of 4-amino-3-(5-chloro-2-methylanilino)benzoic acid?
The InChIKey is UMMOYRYTXHIROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-8-2-4-10(15)7-12(8)17-13-6-9(14(18)19)3-5-11(13)16/h2-7,17H,16H2,1H3,(H,18,19).
What are the key properties of 4-amino-3-(5-chloro-2-methylanilino)benzoic acid?
4-amino-3-(5-chloro-2-methylanilino)benzoic acid has a molecular weight of 276.72 g/mol, XLogP of 3.67, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(5-chloro-2-methylanilino)benzoic acid is sourced from PubChem (CID 82790344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).