2-(2,4-dichloro-6-methylanilino)-5-ethylbenzoic acid

C16H15Cl2NO2 — CID 11738825

IUPAC2-(2,4-dichloro-6-methylanilino)-5-ethylbenzoic acid
SMILESCCc1ccc(Nc2c(C)cc(Cl)cc2Cl)c(C(=O)O)c1
InChIInChI=1S/C16H15Cl2NO2/c1-3-10-4-5-14(12(7-10)16(20)21)19-15-9(2)6-11(17)8-13(15)18/h4-8,19H,3H2,1-2H3,(H,20,21)
InChIKeyWKEUBQHTHOYHHG-UHFFFAOYSA-N
MW324.21 g/mol
LogP5.31
Rot. Bonds4

About 2-(2,4-dichloro-6-methylanilino)-5-ethylbenzoic acid

2-(2,4-dichloro-6-methylanilino)-5-ethylbenzoic acid (PubChem CID 11738825) has the molecular formula C16H15Cl2NO2 and a molecular weight of 324.21 g/mol. Its IUPAC name is 2-(2,4-dichloro-6-methylanilino)-5-ethylbenzoic acid.

Molecular Properties

Compound Name2-(2,4-dichloro-6-methylanilino)-5-ethylbenzoic acid
PubChem CID11738825
Molecular FormulaC16H15Cl2NO2
Molecular Weight324.21 g/mol
Exact Mass323.05
IUPAC Name2-(2,4-dichloro-6-methylanilino)-5-ethylbenzoic acid
SMILESCCc1ccc(Nc2c(C)cc(Cl)cc2Cl)c(C(=O)O)c1
InChIInChI=1S/C16H15Cl2NO2/c1-3-10-4-5-14(12(7-10)16(20)21)19-15-9(2)6-11(17)8-13(15)18/h4-8,19H,3H2,1-2H3,(H,20,21)
InChIKeyWKEUBQHTHOYHHG-UHFFFAOYSA-N
XLogP5.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.21
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-(2-ethyl-6-methylanilino)benzoic acid
CID 63528499
5-ethyl-2-(1,3-thiazole-4-carbonylamino)benzoic acid
CID 110462206
2-(3-chloropropanoylamino)-5-ethylbenzoic acid
CID 110465745
2-[(2-ethoxy-2-oxoacetyl)amino]-5-ethylbenzoic acid
CID 110465813
2-[(3-chlorophenyl)sulfonylamino]-5-ethylbenzoic acid
CID 11724797
2-[(3-tert-butyl-1-methyl-4-pyridin-4-ylpyrazol-5-yl)amino]-5-ethylbenzoic acid
CID 69277759
2-[(2-chloro-4-fluorophenyl)sulfonylamino]-5-ethylbenzoic acid
CID 10338417
5-ethyl-2-(3-methylbutanoylamino)benzoic acid
CID 110465723
1-(2-chlorophenyl)-3-(4-ethyl-2-methylphenyl)urea
CID 71013489
5-ethyl-2-methoxybenzoic acid
CID 20721149
5-ethyl-2-(3-methoxypropanoylamino)benzoic acid
CID 110480431
2-(2,5-dichloroanilino)-5-methylbenzoic acid
CID 63528661

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloro-6-methylanilino)-5-ethylbenzoic acid?
The IUPAC name of 2-(2,4-dichloro-6-methylanilino)-5-ethylbenzoic acid (CID 11738825) is 2-(2,4-dichloro-6-methylanilino)-5-ethylbenzoic acid.
What is the SMILES notation for 2-(2,4-dichloro-6-methylanilino)-5-ethylbenzoic acid?
The canonical SMILES for 2-(2,4-dichloro-6-methylanilino)-5-ethylbenzoic acid is CCc1ccc(Nc2c(C)cc(Cl)cc2Cl)c(C(=O)O)c1.
What is the InChIKey of 2-(2,4-dichloro-6-methylanilino)-5-ethylbenzoic acid?
The InChIKey is WKEUBQHTHOYHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO2/c1-3-10-4-5-14(12(7-10)16(20)21)19-15-9(2)6-11(17)8-13(15)18/h4-8,19H,3H2,1-2H3,(H,20,21).
What are the key properties of 2-(2,4-dichloro-6-methylanilino)-5-ethylbenzoic acid?
2-(2,4-dichloro-6-methylanilino)-5-ethylbenzoic acid has a molecular weight of 324.21 g/mol, XLogP of 5.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichloro-6-methylanilino)-5-ethylbenzoic acid is sourced from PubChem (CID 11738825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).