2-(4-chloro-3-methylanilino)benzoic acid

C14H12ClNO2 — CID 5507

IUPAC2-(4-chloro-3-methylanilino)benzoic acid
SMILESCc1cc(Nc2ccccc2C(=O)O)ccc1Cl
InChIInChI=1S/C14H12ClNO2/c1-9-8-10(6-7-12(9)15)16-13-5-3-2-4-11(13)14(17)18/h2-8,16H,1H3,(H,17,18)
InChIKeyQDNMBJXNLJFNHT-UHFFFAOYSA-N
MW261.71 g/mol
LogP4.09
Rot. Bonds3

About 2-(4-chloro-3-methylanilino)benzoic acid

2-(4-chloro-3-methylanilino)benzoic acid (PubChem CID 5507) has the molecular formula C14H12ClNO2 and a molecular weight of 261.71 g/mol. Its IUPAC name is 2-(4-chloro-3-methylanilino)benzoic acid.

Molecular Properties

Compound Name2-(4-chloro-3-methylanilino)benzoic acid
PubChem CID5507
Molecular FormulaC14H12ClNO2
Molecular Weight261.71 g/mol
Exact Mass261.06
IUPAC Name2-(4-chloro-3-methylanilino)benzoic acid
SMILESCc1cc(Nc2ccccc2C(=O)O)ccc1Cl
InChIInChI=1S/C14H12ClNO2/c1-9-8-10(6-7-12(9)15)16-13-5-3-2-4-11(13)14(17)18/h2-8,16H,1H3,(H,17,18)
InChIKeyQDNMBJXNLJFNHT-UHFFFAOYSA-N
XLogP4.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylanilino)benzoic acid?
The IUPAC name of 2-(4-chloro-3-methylanilino)benzoic acid (CID 5507) is 2-(4-chloro-3-methylanilino)benzoic acid.
What is the SMILES notation for 2-(4-chloro-3-methylanilino)benzoic acid?
The canonical SMILES for 2-(4-chloro-3-methylanilino)benzoic acid is Cc1cc(Nc2ccccc2C(=O)O)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylanilino)benzoic acid?
The InChIKey is QDNMBJXNLJFNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO2/c1-9-8-10(6-7-12(9)15)16-13-5-3-2-4-11(13)14(17)18/h2-8,16H,1H3,(H,17,18).
What are the key properties of 2-(4-chloro-3-methylanilino)benzoic acid?
2-(4-chloro-3-methylanilino)benzoic acid has a molecular weight of 261.71 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylanilino)benzoic acid is sourced from PubChem (CID 5507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).