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

C14H12ClNO2 — CID 117029299

IUPAC3-(2-chloro-N-methylanilino)benzoic acid
SMILESCN(c1cccc(C(=O)O)c1)c1ccccc1Cl
InChIInChI=1S/C14H12ClNO2/c1-16(13-8-3-2-7-12(13)15)11-6-4-5-10(9-11)14(17)18/h2-9H,1H3,(H,17,18)
InChIKeyCTEYDYSBHNAPTI-UHFFFAOYSA-N
MW261.71 g/mol
LogP3.81
Rot. Bonds3

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

3-(2-chloro-N-methylanilino)benzoic acid (PubChem CID 117029299) has the molecular formula C14H12ClNO2 and a molecular weight of 261.71 g/mol. Its IUPAC name is 3-(2-chloro-N-methylanilino)benzoic acid.

Molecular Properties

Compound Name3-(2-chloro-N-methylanilino)benzoic acid
PubChem CID117029299
Molecular FormulaC14H12ClNO2
Molecular Weight261.71 g/mol
Exact Mass261.06
IUPAC Name3-(2-chloro-N-methylanilino)benzoic acid
SMILESCN(c1cccc(C(=O)O)c1)c1ccccc1Cl
InChIInChI=1S/C14H12ClNO2/c1-16(13-8-3-2-7-12(13)15)11-6-4-5-10(9-11)14(17)18/h2-9H,1H3,(H,17,18)
InChIKeyCTEYDYSBHNAPTI-UHFFFAOYSA-N
XLogP3.81
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2-chloro-N-methylanilino)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

3-(4-chloro-N-methylanilino)benzoic acid
CID 117029301
3-(N,4-dimethylanilino)benzoic acid
CID 102822798
3-[methyl(pyrimidin-2-yl)amino]benzoic acid
CID 82512926
[3-chloro-4-(N-methylanilino)phenyl]-phenylmethanone
CID 162398162
2-chloro-6-(3-fluoro-N-methylanilino)benzoic acid
CID 55091087
3-(N,3,4-trimethylanilino)benzoic acid
CID 117029291
3-[(2-chloroquinazolin-4-yl)-methylamino]benzoic acid
CID 175557003
benzoic acid;N-methyl-N-phenylaniline
CID 158055475
3-[methyl(thiophen-2-yl)amino]benzoic acid
CID 117043052
3-[methyl(1H-pyrrol-3-yl)amino]benzoic acid
CID 117043065
3-(N-[4-[N-(3-carboxyphenyl)-4-[N-(3-carboxyphenyl)-4-[N-(3-carboxyphenyl)-4-(N-(3-carboxyphenyl)anilino)anilino]anilino]anilino]phenyl]anilino)benzoic acid
CID 101061815
4-(3-acetyl-N-methylanilino)benzoic acid
CID 117029329

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-N-methylanilino)benzoic acid?
The IUPAC name of 3-(2-chloro-N-methylanilino)benzoic acid (CID 117029299) is 3-(2-chloro-N-methylanilino)benzoic acid.
What is the SMILES notation for 3-(2-chloro-N-methylanilino)benzoic acid?
The canonical SMILES for 3-(2-chloro-N-methylanilino)benzoic acid is CN(c1cccc(C(=O)O)c1)c1ccccc1Cl.
What is the InChIKey of 3-(2-chloro-N-methylanilino)benzoic acid?
The InChIKey is CTEYDYSBHNAPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO2/c1-16(13-8-3-2-7-12(13)15)11-6-4-5-10(9-11)14(17)18/h2-9H,1H3,(H,17,18).
What are the key properties of 3-(2-chloro-N-methylanilino)benzoic acid?
3-(2-chloro-N-methylanilino)benzoic acid has a molecular weight of 261.71 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-N-methylanilino)benzoic acid is sourced from PubChem (CID 117029299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).