2-chloro-4-(4-ethyl-N-methylanilino)benzoic acid

C16H16ClNO2 — CID 63514692

IUPAC2-chloro-4-(4-ethyl-N-methylanilino)benzoic acid
SMILESCCc1ccc(N(C)c2ccc(C(=O)O)c(Cl)c2)cc1
InChIInChI=1S/C16H16ClNO2/c1-3-11-4-6-12(7-5-11)18(2)13-8-9-14(16(19)20)15(17)10-13/h4-10H,3H2,1-2H3,(H,19,20)
InChIKeyUVYHKUCAZOEBDB-UHFFFAOYSA-N
MW289.76 g/mol
LogP4.37
Rot. Bonds4

About 2-chloro-4-(4-ethyl-N-methylanilino)benzoic acid

2-chloro-4-(4-ethyl-N-methylanilino)benzoic acid (PubChem CID 63514692) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 2-chloro-4-(4-ethyl-N-methylanilino)benzoic acid.

Molecular Properties

Compound Name2-chloro-4-(4-ethyl-N-methylanilino)benzoic acid
PubChem CID63514692
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name2-chloro-4-(4-ethyl-N-methylanilino)benzoic acid
SMILESCCc1ccc(N(C)c2ccc(C(=O)O)c(Cl)c2)cc1
InChIInChI=1S/C16H16ClNO2/c1-3-11-4-6-12(7-5-11)18(2)13-8-9-14(16(19)20)15(17)10-13/h4-10H,3H2,1-2H3,(H,19,20)
InChIKeyUVYHKUCAZOEBDB-UHFFFAOYSA-N
XLogP4.37
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-2-(4-ethyl-N-methylanilino)pyridine-3-carboxylic acid
CID 63538850
2-chloro-4-(diethylamino)benzoic acid
CID 62945761
2-chloro-4-[methyl(pyridin-4-ylmethyl)amino]benzoic acid
CID 62946231
5-bromo-2-(4-ethyl-N-methylanilino)benzoic acid
CID 114895690
2-chloro-4-[3-methoxypropyl(methyl)amino]benzoic acid
CID 63008083
4-[(4-carboxy-3-chlorophenyl)methyl]-2-chlorobenzoic acid
CID 19980721
4-[butyl(ethyl)amino]-2-chlorobenzoic acid
CID 62945912
2-chloro-4-[ethyl(2,2,2-trifluoroethyl)amino]benzoic acid
CID 62946083
4-(3-chloro-N,4-dimethylanilino)benzoic acid
CID 150399122
5-(4-ethyl-N-methylanilino)pyridine-2-carboxylic acid
CID 113321588
5-amino-3-chloro-2-(4-ethyl-N-methylanilino)benzamide
CID 107195557
2-chloro-4-[ethyl(2-methylprop-2-enyl)amino]benzoic acid
CID 55153564

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-ethyl-N-methylanilino)benzoic acid?
The IUPAC name of 2-chloro-4-(4-ethyl-N-methylanilino)benzoic acid (CID 63514692) is 2-chloro-4-(4-ethyl-N-methylanilino)benzoic acid.
What is the SMILES notation for 2-chloro-4-(4-ethyl-N-methylanilino)benzoic acid?
The canonical SMILES for 2-chloro-4-(4-ethyl-N-methylanilino)benzoic acid is CCc1ccc(N(C)c2ccc(C(=O)O)c(Cl)c2)cc1.
What is the InChIKey of 2-chloro-4-(4-ethyl-N-methylanilino)benzoic acid?
The InChIKey is UVYHKUCAZOEBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-3-11-4-6-12(7-5-11)18(2)13-8-9-14(16(19)20)15(17)10-13/h4-10H,3H2,1-2H3,(H,19,20).
What are the key properties of 2-chloro-4-(4-ethyl-N-methylanilino)benzoic acid?
2-chloro-4-(4-ethyl-N-methylanilino)benzoic acid has a molecular weight of 289.76 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-ethyl-N-methylanilino)benzoic acid is sourced from PubChem (CID 63514692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).