2-anilino-4-chlorobenzoic acid

C13H10ClNO2 — CID 615334

IUPAC2-anilino-4-chlorobenzoic acid
SMILESO=C(O)c1ccc(Cl)cc1Nc1ccccc1
InChIInChI=1S/C13H10ClNO2/c14-9-6-7-11(13(16)17)12(8-9)15-10-4-2-1-3-5-10/h1-8,15H,(H,16,17)
InChIKeyMTIKNMBLKUFLKL-UHFFFAOYSA-N
MW247.68 g/mol
LogP3.78
Rot. Bonds3

About 2-anilino-4-chlorobenzoic acid

2-anilino-4-chlorobenzoic acid (PubChem CID 615334) has the molecular formula C13H10ClNO2 and a molecular weight of 247.68 g/mol. Its IUPAC name is 2-anilino-4-chlorobenzoic acid.

Molecular Properties

Compound Name2-anilino-4-chlorobenzoic acid
PubChem CID615334
Molecular FormulaC13H10ClNO2
Molecular Weight247.68 g/mol
Exact Mass247.04
IUPAC Name2-anilino-4-chlorobenzoic acid
SMILESO=C(O)c1ccc(Cl)cc1Nc1ccccc1
InChIInChI=1S/C13H10ClNO2/c14-9-6-7-11(13(16)17)12(8-9)15-10-4-2-1-3-5-10/h1-8,15H,(H,16,17)
InChIKeyMTIKNMBLKUFLKL-UHFFFAOYSA-N
XLogP3.78
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.68
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-4-chlorobenzoic acid?
The IUPAC name of 2-anilino-4-chlorobenzoic acid (CID 615334) is 2-anilino-4-chlorobenzoic acid.
What is the SMILES notation for 2-anilino-4-chlorobenzoic acid?
The canonical SMILES for 2-anilino-4-chlorobenzoic acid is O=C(O)c1ccc(Cl)cc1Nc1ccccc1.
What is the InChIKey of 2-anilino-4-chlorobenzoic acid?
The InChIKey is MTIKNMBLKUFLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO2/c14-9-6-7-11(13(16)17)12(8-9)15-10-4-2-1-3-5-10/h1-8,15H,(H,16,17).
What are the key properties of 2-anilino-4-chlorobenzoic acid?
2-anilino-4-chlorobenzoic acid has a molecular weight of 247.68 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-4-chlorobenzoic acid is sourced from PubChem (CID 615334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).