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

C15H15ClN2O3 — CID 107192996

IUPAC5-amino-3-chloro-2-(2-methoxy-5-methylanilino)benzoic acid
SMILESCOc1ccc(C)cc1Nc1c(Cl)cc(N)cc1C(=O)O
InChIInChI=1S/C15H15ClN2O3/c1-8-3-4-13(21-2)12(5-8)18-14-10(15(19)20)6-9(17)7-11(14)16/h3-7,18H,17H2,1-2H3,(H,19,20)
InChIKeyFOOVRELVKWIDTA-UHFFFAOYSA-N
MW306.75 g/mol
LogP3.68
Rot. Bonds4

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

5-amino-3-chloro-2-(2-methoxy-5-methylanilino)benzoic acid (PubChem CID 107192996) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is 5-amino-3-chloro-2-(2-methoxy-5-methylanilino)benzoic acid.

Molecular Properties

Compound Name5-amino-3-chloro-2-(2-methoxy-5-methylanilino)benzoic acid
PubChem CID107192996
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name5-amino-3-chloro-2-(2-methoxy-5-methylanilino)benzoic acid
SMILESCOc1ccc(C)cc1Nc1c(Cl)cc(N)cc1C(=O)O
InChIInChI=1S/C15H15ClN2O3/c1-8-3-4-13(21-2)12(5-8)18-14-10(15(19)20)6-9(17)7-11(14)16/h3-7,18H,17H2,1-2H3,(H,19,20)
InChIKeyFOOVRELVKWIDTA-UHFFFAOYSA-N
XLogP3.68
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-(5-bromo-2-methoxyanilino)-3-chlorobenzamide
CID 107195194
(5-amino-2,3-dichlorophenyl)-(2-methoxy-5-methylphenyl)methanone
CID 107201476
5-amino-3-chloro-2-(2,3-dimethylanilino)benzoic acid
CID 107193418
5-amino-2-(5-bromo-2-methylanilino)-3-chlorobenzoic acid
CID 107194297
5-amino-3-chloro-2-(5-fluoro-2-methylanilino)benzoic acid
CID 107193296
5-amino-3-chloro-2-(2,6-dimethylanilino)benzoic acid
CID 107193367
2,6-difluoro-1-N-(2-methoxy-5-methylphenyl)benzene-1,4-diamine
CID 54902891
5-amino-3-chloro-2-(2-chloro-4-methylphenoxy)benzoic acid
CID 107197838
5-amino-N-(2-chloro-4-methylphenyl)-2-methoxybenzamide
CID 61093558
5-amino-3-chloro-2-(2,5-dibromoanilino)benzoic acid
CID 107194856
5-amino-3-chloro-2-(2-cyano-3-methylanilino)benzoic acid
CID 107800499
5-amino-2-(3-bromo-4-methylanilino)-3-chlorobenzoic acid
CID 107195858

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-(2-methoxy-5-methylanilino)benzoic acid?
The IUPAC name of 5-amino-3-chloro-2-(2-methoxy-5-methylanilino)benzoic acid (CID 107192996) is 5-amino-3-chloro-2-(2-methoxy-5-methylanilino)benzoic acid.
What is the SMILES notation for 5-amino-3-chloro-2-(2-methoxy-5-methylanilino)benzoic acid?
The canonical SMILES for 5-amino-3-chloro-2-(2-methoxy-5-methylanilino)benzoic acid is COc1ccc(C)cc1Nc1c(Cl)cc(N)cc1C(=O)O.
What is the InChIKey of 5-amino-3-chloro-2-(2-methoxy-5-methylanilino)benzoic acid?
The InChIKey is FOOVRELVKWIDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-8-3-4-13(21-2)12(5-8)18-14-10(15(19)20)6-9(17)7-11(14)16/h3-7,18H,17H2,1-2H3,(H,19,20).
What are the key properties of 5-amino-3-chloro-2-(2-methoxy-5-methylanilino)benzoic acid?
5-amino-3-chloro-2-(2-methoxy-5-methylanilino)benzoic acid has a molecular weight of 306.75 g/mol, XLogP of 3.68, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-(2-methoxy-5-methylanilino)benzoic acid is sourced from PubChem (CID 107192996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).