3-chloro-2-(2-chloroanilino)benzoic acid

C13H9Cl2NO2 — CID 615153

IUPAC3-chloro-2-(2-chloroanilino)benzoic acid
SMILESO=C(O)c1cccc(Cl)c1Nc1ccccc1Cl
InChIInChI=1S/C13H9Cl2NO2/c14-9-5-1-2-7-11(9)16-12-8(13(17)18)4-3-6-10(12)15/h1-7,16H,(H,17,18)
InChIKeyZKJZMZTYZAKKGL-UHFFFAOYSA-N
MW282.13 g/mol
LogP4.44
Rot. Bonds3

About 3-chloro-2-(2-chloroanilino)benzoic acid

3-chloro-2-(2-chloroanilino)benzoic acid (PubChem CID 615153) has the molecular formula C13H9Cl2NO2 and a molecular weight of 282.13 g/mol. Its IUPAC name is 3-chloro-2-(2-chloroanilino)benzoic acid.

Molecular Properties

Compound Name3-chloro-2-(2-chloroanilino)benzoic acid
PubChem CID615153
Molecular FormulaC13H9Cl2NO2
Molecular Weight282.13 g/mol
Exact Mass281.00
IUPAC Name3-chloro-2-(2-chloroanilino)benzoic acid
SMILESO=C(O)c1cccc(Cl)c1Nc1ccccc1Cl
InChIInChI=1S/C13H9Cl2NO2/c14-9-5-1-2-7-11(9)16-12-8(13(17)18)4-3-6-10(12)15/h1-7,16H,(H,17,18)
InChIKeyZKJZMZTYZAKKGL-UHFFFAOYSA-N
XLogP4.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.13
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzyl-2-(2-chloroanilino)benzoic acid
CID 68614231
3-(2-chloroanilino)-2-nitrobenzoic acid
CID 115542075
2-(3,6-dichloro-2-methylanilino)benzoic acid
CID 76852316
3-bromo-5-chloro-2-(2-chloroanilino)benzoic acid
CID 165363155
2-(2-bromo-3-chloroanilino)benzoic acid
CID 103480389
6-(2,6-dichloro-3-methylanilino)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylic acid
CID 164516784
2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrate
CID 68653725
2-(2-carboxyanilino)-3-chloro-4-methylbenzoic acid
CID 21128606
3-chloro-2-[(2-chlorophenyl)sulfonylamino]benzoic acid
CID 45314134
3-chloro-2-[(2-methylbenzoyl)amino]benzoic acid
CID 23208226
2-bromo-3-nitrobenzoic acid;2-chloroaniline;2-(2-chloroanilino)-3-nitrobenzoic acid;methane
CID 157398060
3-chloro-2-N-(2-chlorophenyl)benzene-1,2-diamine
CID 29067270

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(2-chloroanilino)benzoic acid?
The IUPAC name of 3-chloro-2-(2-chloroanilino)benzoic acid (CID 615153) is 3-chloro-2-(2-chloroanilino)benzoic acid.
What is the SMILES notation for 3-chloro-2-(2-chloroanilino)benzoic acid?
The canonical SMILES for 3-chloro-2-(2-chloroanilino)benzoic acid is O=C(O)c1cccc(Cl)c1Nc1ccccc1Cl.
What is the InChIKey of 3-chloro-2-(2-chloroanilino)benzoic acid?
The InChIKey is ZKJZMZTYZAKKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO2/c14-9-5-1-2-7-11(9)16-12-8(13(17)18)4-3-6-10(12)15/h1-7,16H,(H,17,18).
What are the key properties of 3-chloro-2-(2-chloroanilino)benzoic acid?
3-chloro-2-(2-chloroanilino)benzoic acid has a molecular weight of 282.13 g/mol, XLogP of 4.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(2-chloroanilino)benzoic acid is sourced from PubChem (CID 615153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).