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

C14H12ClNO2 — CID 610479

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IUPAC2-(3-chloro-2-methylanilino)benzoic acid
SMILESCc1c(Cl)cccc1Nc1ccccc1C(=O)O
InChIInChI=1S/C14H12ClNO2/c1-9-11(15)6-4-8-12(9)16-13-7-3-2-5-10(13)14(17)18/h2-8,16H,1H3,(H,17,18)
InChIKeyYEZNLOUZAIOMLT-UHFFFAOYSA-N
MW261.71 g/mol
LogP4.09
Rot. Bonds3

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

2-(3-chloro-2-methylanilino)benzoic acid (PubChem CID 610479) has the molecular formula C14H12ClNO2 and a molecular weight of 261.71 g/mol. Its IUPAC name is 2-(3-chloro-2-methylanilino)benzoic acid.

Molecular Properties

Compound Name2-(3-chloro-2-methylanilino)benzoic acid
PubChem CID610479
Molecular FormulaC14H12ClNO2
Molecular Weight261.71 g/mol
Exact Mass261.06
IUPAC Name2-(3-chloro-2-methylanilino)benzoic acid
SMILESCc1c(Cl)cccc1Nc1ccccc1C(=O)O
InChIInChI=1S/C14H12ClNO2/c1-9-11(15)6-4-8-12(9)16-13-7-3-2-5-10(13)14(17)18/h2-8,16H,1H3,(H,17,18)
InChIKeyYEZNLOUZAIOMLT-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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Related Compounds

Mefenamic Acid
CID 4044
Flufenamic Acid
CID 3371
Meclofenamate Sodium
CID 4038
Meclofenamic Acid
CID 4037
N-Phenylanthranilic Acid
CID 4386
Enfenamic Acid
CID 31635
N-acetylanthranilic acid
CID 6971
2-(Benzoylamino)benzoic acid
CID 68482
Lobenzarit Sodium
CID 47462
Diphenylamine-2,2'-dicarboxylic acid
CID 11371
2-(Methylamino)benzoic acid
CID 67069
2-Amino-4-chlorobenzoic acid
CID 66646

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methylanilino)benzoic acid?
The IUPAC name of 2-(3-chloro-2-methylanilino)benzoic acid (CID 610479) is 2-(3-chloro-2-methylanilino)benzoic acid.
What is the SMILES notation for 2-(3-chloro-2-methylanilino)benzoic acid?
The canonical SMILES for 2-(3-chloro-2-methylanilino)benzoic acid is Cc1c(Cl)cccc1Nc1ccccc1C(=O)O.
What is the InChIKey of 2-(3-chloro-2-methylanilino)benzoic acid?
The InChIKey is YEZNLOUZAIOMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO2/c1-9-11(15)6-4-8-12(9)16-13-7-3-2-5-10(13)14(17)18/h2-8,16H,1H3,(H,17,18).
What are the key properties of 2-(3-chloro-2-methylanilino)benzoic acid?
2-(3-chloro-2-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-(3-chloro-2-methylanilino)benzoic acid is sourced from PubChem (CID 610479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).