5-chloro-2-(3,5-dimethoxyanilino)benzoic acid

C15H14ClNO4 — CID 63536953

IUPAC5-chloro-2-(3,5-dimethoxyanilino)benzoic acid
SMILESCOc1cc(Nc2ccc(Cl)cc2C(=O)O)cc(OC)c1
InChIInChI=1S/C15H14ClNO4/c1-20-11-6-10(7-12(8-11)21-2)17-14-4-3-9(16)5-13(14)15(18)19/h3-8,17H,1-2H3,(H,18,19)
InChIKeyTUUBYAVHNOJCTC-UHFFFAOYSA-N
MW307.73 g/mol
LogP3.80
Rot. Bonds5

About 5-chloro-2-(3,5-dimethoxyanilino)benzoic acid

5-chloro-2-(3,5-dimethoxyanilino)benzoic acid (PubChem CID 63536953) has the molecular formula C15H14ClNO4 and a molecular weight of 307.73 g/mol. Its IUPAC name is 5-chloro-2-(3,5-dimethoxyanilino)benzoic acid.

Molecular Properties

Compound Name5-chloro-2-(3,5-dimethoxyanilino)benzoic acid
PubChem CID63536953
Molecular FormulaC15H14ClNO4
Molecular Weight307.73 g/mol
Exact Mass307.06
IUPAC Name5-chloro-2-(3,5-dimethoxyanilino)benzoic acid
SMILESCOc1cc(Nc2ccc(Cl)cc2C(=O)O)cc(OC)c1
InChIInChI=1S/C15H14ClNO4/c1-20-11-6-10(7-12(8-11)21-2)17-14-4-3-9(16)5-13(14)15(18)19/h3-8,17H,1-2H3,(H,18,19)
InChIKeyTUUBYAVHNOJCTC-UHFFFAOYSA-N
XLogP3.80
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.73
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-2-(3,5-dimethoxyanilino)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-2-(4-methoxyanilino)benzoic acid
CID 13371480
5-chloro-2-(2-chloro-5-methoxyanilino)benzoic acid
CID 63539528
5-chloro-2-(3-ethoxyanilino)benzoic acid
CID 63538185
5-chloro-2-(3,5-dichloro-4-fluoroanilino)benzoic acid
CID 107575496
4-chloro-2-N-(3,5-dimethoxyphenyl)benzene-1,2-diamine
CID 115468540
2-[(6-bromo-3-pyridinyl)amino]-5-chlorobenzoic acid
CID 86657259
2,5-bis(4-methoxyanilino)terephthalic acid
CID 3084837
2-[(6-bromo-5-methyl-3-pyridinyl)amino]-5-chlorobenzoic acid
CID 86657260
5-chloro-2-[3-(4-methoxyphenyl)propanoylamino]benzoic acid
CID 141008038
5-acetyl-2-(4-chloroanilino)benzoic acid
CID 70686076
2-[4-[2-(3,4-dichlorophenyl)ethyl]anilino]-5-methoxybenzoic acid
CID 22269685
5-chloro-2-(2-ethoxy-4-fluoroanilino)benzoic acid
CID 155452555

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3,5-dimethoxyanilino)benzoic acid?
The IUPAC name of 5-chloro-2-(3,5-dimethoxyanilino)benzoic acid (CID 63536953) is 5-chloro-2-(3,5-dimethoxyanilino)benzoic acid.
What is the SMILES notation for 5-chloro-2-(3,5-dimethoxyanilino)benzoic acid?
The canonical SMILES for 5-chloro-2-(3,5-dimethoxyanilino)benzoic acid is COc1cc(Nc2ccc(Cl)cc2C(=O)O)cc(OC)c1.
What is the InChIKey of 5-chloro-2-(3,5-dimethoxyanilino)benzoic acid?
The InChIKey is TUUBYAVHNOJCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO4/c1-20-11-6-10(7-12(8-11)21-2)17-14-4-3-9(16)5-13(14)15(18)19/h3-8,17H,1-2H3,(H,18,19).
What are the key properties of 5-chloro-2-(3,5-dimethoxyanilino)benzoic acid?
5-chloro-2-(3,5-dimethoxyanilino)benzoic acid has a molecular weight of 307.73 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3,5-dimethoxyanilino)benzoic acid is sourced from PubChem (CID 63536953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).