5-amino-3-chloro-2-(2,6-dimethylanilino)benzoic acid

C15H15ClN2O2 — CID 107193367

IUPAC5-amino-3-chloro-2-(2,6-dimethylanilino)benzoic acid
SMILESCc1cccc(C)c1Nc1c(Cl)cc(N)cc1C(=O)O
InChIInChI=1S/C15H15ClN2O2/c1-8-4-3-5-9(2)13(8)18-14-11(15(19)20)6-10(17)7-12(14)16/h3-7,18H,17H2,1-2H3,(H,19,20)
InChIKeyHMDXQWOTFYVDLQ-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.98
Rot. Bonds3

About 5-amino-3-chloro-2-(2,6-dimethylanilino)benzoic acid

5-amino-3-chloro-2-(2,6-dimethylanilino)benzoic acid (PubChem CID 107193367) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 5-amino-3-chloro-2-(2,6-dimethylanilino)benzoic acid.

Molecular Properties

Compound Name5-amino-3-chloro-2-(2,6-dimethylanilino)benzoic acid
PubChem CID107193367
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name5-amino-3-chloro-2-(2,6-dimethylanilino)benzoic acid
SMILESCc1cccc(C)c1Nc1c(Cl)cc(N)cc1C(=O)O
InChIInChI=1S/C15H15ClN2O2/c1-8-4-3-5-9(2)13(8)18-14-11(15(19)20)6-10(17)7-12(14)16/h3-7,18H,17H2,1-2H3,(H,19,20)
InChIKeyHMDXQWOTFYVDLQ-UHFFFAOYSA-N
XLogP3.98
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.98
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

5-amino-3-chloro-2-(2,3-dimethylanilino)benzoic acid
CID 107193418
5-amino-3-chloro-2-(2-cyano-3-methylanilino)benzoic acid
CID 107800499
methyl 5-amino-3-chloro-2-(2-fluoro-6-methylanilino)benzoate
CID 107196864
5-amino-2-(3-bromo-4-methylanilino)-3-chlorobenzoic acid
CID 107195858
5-amino-3-chloro-2-(5-fluoro-2-methylanilino)benzoic acid
CID 107193296
5-amino-2-(5-bromo-2-methylanilino)-3-chlorobenzoic acid
CID 107194297
5-amino-3-chloro-2-(3-methylsulfanylanilino)benzoic acid
CID 107192597
5-amino-3-chloro-2-(2,4,6-trimethylanilino)benzamide
CID 107192577
methyl 5-amino-3-chloro-2-(2,6-dichloroanilino)benzoate
CID 107196135
2-amino-4-(2,6-dimethylanilino)benzoic acid
CID 104500168
5-amino-3-chloro-2-(pyridin-3-ylamino)benzoic acid
CID 107192541
5-amino-3-chloro-2-[(4-methyl-1,3-thiazol-2-yl)amino]benzoic acid
CID 107193541

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-(2,6-dimethylanilino)benzoic acid?
The IUPAC name of 5-amino-3-chloro-2-(2,6-dimethylanilino)benzoic acid (CID 107193367) is 5-amino-3-chloro-2-(2,6-dimethylanilino)benzoic acid.
What is the SMILES notation for 5-amino-3-chloro-2-(2,6-dimethylanilino)benzoic acid?
The canonical SMILES for 5-amino-3-chloro-2-(2,6-dimethylanilino)benzoic acid is Cc1cccc(C)c1Nc1c(Cl)cc(N)cc1C(=O)O.
What is the InChIKey of 5-amino-3-chloro-2-(2,6-dimethylanilino)benzoic acid?
The InChIKey is HMDXQWOTFYVDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-8-4-3-5-9(2)13(8)18-14-11(15(19)20)6-10(17)7-12(14)16/h3-7,18H,17H2,1-2H3,(H,19,20).
What are the key properties of 5-amino-3-chloro-2-(2,6-dimethylanilino)benzoic acid?
5-amino-3-chloro-2-(2,6-dimethylanilino)benzoic acid has a molecular weight of 290.75 g/mol, XLogP of 3.98, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-(2,6-dimethylanilino)benzoic acid is sourced from PubChem (CID 107193367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).