5-chloro-2-(4-methoxyanilino)benzoic acid

C14H12ClNO3 — CID 13371480

IUPAC5-chloro-2-(4-methoxyanilino)benzoic acid
SMILESCOc1ccc(Nc2ccc(Cl)cc2C(=O)O)cc1
InChIInChI=1S/C14H12ClNO3/c1-19-11-5-3-10(4-6-11)16-13-7-2-9(15)8-12(13)14(17)18/h2-8,16H,1H3,(H,17,18)
InChIKeyISXKTCMFCWGVAH-UHFFFAOYSA-N
MW277.71 g/mol
LogP3.79
Rot. Bonds4

About 5-chloro-2-(4-methoxyanilino)benzoic acid

5-chloro-2-(4-methoxyanilino)benzoic acid (PubChem CID 13371480) has the molecular formula C14H12ClNO3 and a molecular weight of 277.71 g/mol. Its IUPAC name is 5-chloro-2-(4-methoxyanilino)benzoic acid.

Molecular Properties

Compound Name5-chloro-2-(4-methoxyanilino)benzoic acid
PubChem CID13371480
Molecular FormulaC14H12ClNO3
Molecular Weight277.71 g/mol
Exact Mass277.05
IUPAC Name5-chloro-2-(4-methoxyanilino)benzoic acid
SMILESCOc1ccc(Nc2ccc(Cl)cc2C(=O)O)cc1
InChIInChI=1S/C14H12ClNO3/c1-19-11-5-3-10(4-6-11)16-13-7-2-9(15)8-12(13)14(17)18/h2-8,16H,1H3,(H,17,18)
InChIKeyISXKTCMFCWGVAH-UHFFFAOYSA-N
XLogP3.79
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-(3,5-dimethoxyanilino)benzoic acid
CID 63536953
5-chloro-2-(2-chloro-5-methoxyanilino)benzoic acid
CID 63539528
2,5-bis(4-methoxyanilino)terephthalic acid
CID 3084837
N-[4-(5-chloro-2-methoxyanilino)phenyl]-4-methoxybenzamide
CID 112987245
2-[4-[2-(3,4-dichlorophenyl)ethyl]anilino]-5-methoxybenzoic acid
CID 22269685
5-chloro-2-[3-(4-methoxyphenyl)propanoylamino]benzoic acid
CID 141008038
5-acetyl-2-(4-chloroanilino)benzoic acid
CID 70686076
5-chloro-2-(ethylamino)-N-(4-methoxyphenyl)benzamide
CID 62171434
5-chloro-2-(3-ethoxyanilino)benzoic acid
CID 63538185
5-chloro-2-(3,5-dichloro-4-fluoroanilino)benzoic acid
CID 107575496
4-methoxyaniline;2-(4-methoxyanilino)benzoic acid
CID 158145987
6-(2,4-dichloroanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109129412

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-methoxyanilino)benzoic acid?
The IUPAC name of 5-chloro-2-(4-methoxyanilino)benzoic acid (CID 13371480) is 5-chloro-2-(4-methoxyanilino)benzoic acid.
What is the SMILES notation for 5-chloro-2-(4-methoxyanilino)benzoic acid?
The canonical SMILES for 5-chloro-2-(4-methoxyanilino)benzoic acid is COc1ccc(Nc2ccc(Cl)cc2C(=O)O)cc1.
What is the InChIKey of 5-chloro-2-(4-methoxyanilino)benzoic acid?
The InChIKey is ISXKTCMFCWGVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3/c1-19-11-5-3-10(4-6-11)16-13-7-2-9(15)8-12(13)14(17)18/h2-8,16H,1H3,(H,17,18).
What are the key properties of 5-chloro-2-(4-methoxyanilino)benzoic acid?
5-chloro-2-(4-methoxyanilino)benzoic acid has a molecular weight of 277.71 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-methoxyanilino)benzoic acid is sourced from PubChem (CID 13371480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).