4-chloro-2-(2,6-dimethylanilino)benzoic acid

C15H14ClNO2 — CID 14550445

IUPAC4-chloro-2-(2,6-dimethylanilino)benzoic acid
SMILESCc1cccc(C)c1Nc1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C15H14ClNO2/c1-9-4-3-5-10(2)14(9)17-13-8-11(16)6-7-12(13)15(18)19/h3-8,17H,1-2H3,(H,18,19)
InChIKeyPUJAMTIWILMTTI-UHFFFAOYSA-N
MW275.74 g/mol
LogP4.40
Rot. Bonds3

About 4-chloro-2-(2,6-dimethylanilino)benzoic acid

4-chloro-2-(2,6-dimethylanilino)benzoic acid (PubChem CID 14550445) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is 4-chloro-2-(2,6-dimethylanilino)benzoic acid.

Molecular Properties

Compound Name4-chloro-2-(2,6-dimethylanilino)benzoic acid
PubChem CID14550445
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name4-chloro-2-(2,6-dimethylanilino)benzoic acid
SMILESCc1cccc(C)c1Nc1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C15H14ClNO2/c1-9-4-3-5-10(2)14(9)17-13-8-11(16)6-7-12(13)15(18)19/h3-8,17H,1-2H3,(H,18,19)
InChIKeyPUJAMTIWILMTTI-UHFFFAOYSA-N
XLogP4.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-[(2,6-dimethylphenyl)carbamoylamino]benzoic acid
CID 58994734
4-chloro-2-[2,6-di(propan-2-yl)anilino]benzoic acid
CID 71769483
5-chloro-2-(2-ethyl-6-methylanilino)benzoic acid
CID 63528499
2-(2-chloro-6-methylanilino)-4-nitrobenzoic acid
CID 66256865
N-(4-chloro-2-methylphenyl)-2,6-dimethylaniline
CID 57056849
bis(2-(2-carboxy-5-chloroanilino)-4-chlorobenzoate);hydron
CID 139054631
2-(2-carboxyanilino)-3-chloro-4-methylbenzoic acid
CID 21128606
5-chloro-2-(2,6-dimethylanilino)benzenecarbothioamide
CID 63518350
4-chloro-2-methylbenzoic acid;ethane
CID 145482472
5-amino-3-chloro-2-(2,6-dimethylanilino)benzoic acid
CID 107193367
4-chloro-2-(2-methylphenyl)benzoic acid
CID 53224862
4-chloro-2-[[(E)-2-methyl-3-(2-methylphenyl)prop-2-enoyl]amino]benzoic acid
CID 23292200

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,6-dimethylanilino)benzoic acid?
The IUPAC name of 4-chloro-2-(2,6-dimethylanilino)benzoic acid (CID 14550445) is 4-chloro-2-(2,6-dimethylanilino)benzoic acid.
What is the SMILES notation for 4-chloro-2-(2,6-dimethylanilino)benzoic acid?
The canonical SMILES for 4-chloro-2-(2,6-dimethylanilino)benzoic acid is Cc1cccc(C)c1Nc1cc(Cl)ccc1C(=O)O.
What is the InChIKey of 4-chloro-2-(2,6-dimethylanilino)benzoic acid?
The InChIKey is PUJAMTIWILMTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-9-4-3-5-10(2)14(9)17-13-8-11(16)6-7-12(13)15(18)19/h3-8,17H,1-2H3,(H,18,19).
What are the key properties of 4-chloro-2-(2,6-dimethylanilino)benzoic acid?
4-chloro-2-(2,6-dimethylanilino)benzoic acid has a molecular weight of 275.74 g/mol, XLogP of 4.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,6-dimethylanilino)benzoic acid is sourced from PubChem (CID 14550445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).