5-chloro-2-(2-ethyl-6-methylanilino)benzoic acid

C16H16ClNO2 — CID 63528499

IUPAC5-chloro-2-(2-ethyl-6-methylanilino)benzoic acid
SMILESCCc1cccc(C)c1Nc1ccc(Cl)cc1C(=O)O
InChIInChI=1S/C16H16ClNO2/c1-3-11-6-4-5-10(2)15(11)18-14-8-7-12(17)9-13(14)16(19)20/h4-9,18H,3H2,1-2H3,(H,19,20)
InChIKeyQYEMGXCJHUFPNT-UHFFFAOYSA-N
MW289.76 g/mol
LogP4.65
Rot. Bonds4

About 5-chloro-2-(2-ethyl-6-methylanilino)benzoic acid

5-chloro-2-(2-ethyl-6-methylanilino)benzoic acid (PubChem CID 63528499) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 5-chloro-2-(2-ethyl-6-methylanilino)benzoic acid.

Molecular Properties

Compound Name5-chloro-2-(2-ethyl-6-methylanilino)benzoic acid
PubChem CID63528499
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name5-chloro-2-(2-ethyl-6-methylanilino)benzoic acid
SMILESCCc1cccc(C)c1Nc1ccc(Cl)cc1C(=O)O
InChIInChI=1S/C16H16ClNO2/c1-3-11-6-4-5-10(2)15(11)18-14-8-7-12(17)9-13(14)16(19)20/h4-9,18H,3H2,1-2H3,(H,19,20)
InChIKeyQYEMGXCJHUFPNT-UHFFFAOYSA-N
XLogP4.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-(2,6-dimethylanilino)benzoic acid
CID 14550445
4-(2-ethyl-6-methylanilino)-3-fluorobenzoic acid
CID 82306613
N-(4-chloro-2-methylphenyl)-N'-(2-ethyl-6-methylphenyl)oxamide
CID 108512069
5-amino-2-(2-ethyl-6-methylanilino)benzamide
CID 61313663
5-chloro-2-(2-cyano-3-methylanilino)benzoic acid
CID 107799308
N-(2,4-dichlorophenyl)-N'-(2-ethyl-6-methylphenyl)propanediamide
CID 108954244
2,4-dichloro-N-(2-ethyl-6-methylphenyl)benzamide
CID 779360
5-chloro-2-[3-(2-methylphenyl)propanoylamino]benzoic acid
CID 141008006
4-chloro-2-[(2,6-dimethylphenyl)carbamoylamino]benzoic acid
CID 58994734
5-chloro-2-(2,6-dimethylanilino)benzenecarbothioamide
CID 63518350
2-(5-chloro-2-methylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 2649472
2-(2,4-dichloro-6-methylanilino)-5-ethylbenzoic acid
CID 11738825

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-ethyl-6-methylanilino)benzoic acid?
The IUPAC name of 5-chloro-2-(2-ethyl-6-methylanilino)benzoic acid (CID 63528499) is 5-chloro-2-(2-ethyl-6-methylanilino)benzoic acid.
What is the SMILES notation for 5-chloro-2-(2-ethyl-6-methylanilino)benzoic acid?
The canonical SMILES for 5-chloro-2-(2-ethyl-6-methylanilino)benzoic acid is CCc1cccc(C)c1Nc1ccc(Cl)cc1C(=O)O.
What is the InChIKey of 5-chloro-2-(2-ethyl-6-methylanilino)benzoic acid?
The InChIKey is QYEMGXCJHUFPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-3-11-6-4-5-10(2)15(11)18-14-8-7-12(17)9-13(14)16(19)20/h4-9,18H,3H2,1-2H3,(H,19,20).
What are the key properties of 5-chloro-2-(2-ethyl-6-methylanilino)benzoic acid?
5-chloro-2-(2-ethyl-6-methylanilino)benzoic acid has a molecular weight of 289.76 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-ethyl-6-methylanilino)benzoic acid is sourced from PubChem (CID 63528499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).