2-(N-ethyl-2-methylanilino)-3-fluorobenzoic acid

C16H16FNO2 — CID 63537295

IUPAC2-(N-ethyl-2-methylanilino)-3-fluorobenzoic acid
SMILESCCN(c1ccccc1C)c1c(F)cccc1C(=O)O
InChIInChI=1S/C16H16FNO2/c1-3-18(14-10-5-4-7-11(14)2)15-12(16(19)20)8-6-9-13(15)17/h4-10H,3H2,1-2H3,(H,19,20)
InChIKeyQAFQNXLICLCRQC-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.99
Rot. Bonds4

About 2-(N-ethyl-2-methylanilino)-3-fluorobenzoic acid

2-(N-ethyl-2-methylanilino)-3-fluorobenzoic acid (PubChem CID 63537295) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-(N-ethyl-2-methylanilino)-3-fluorobenzoic acid.

Molecular Properties

Compound Name2-(N-ethyl-2-methylanilino)-3-fluorobenzoic acid
PubChem CID63537295
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name2-(N-ethyl-2-methylanilino)-3-fluorobenzoic acid
SMILESCCN(c1ccccc1C)c1c(F)cccc1C(=O)O
InChIInChI=1S/C16H16FNO2/c1-3-18(14-10-5-4-7-11(14)2)15-12(16(19)20)8-6-9-13(15)17/h4-10H,3H2,1-2H3,(H,19,20)
InChIKeyQAFQNXLICLCRQC-UHFFFAOYSA-N
XLogP3.99
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-ethyl-3-fluoroanilino)-3-fluorobenzoic acid
CID 62649705
4-(N-ethyl-2-fluoroanilino)-2-methylbenzoic acid
CID 62135800
2-(N-carboxy-2-methylanilino)-3-methylbenzoic acid
CID 173215689
2-amino-4-(N-ethyl-2-methylanilino)benzoic acid
CID 104500134
2-[butan-2-yl(methyl)amino]-3-fluorobenzoic acid
CID 62649994
3-(N-ethyl-2-fluoroanilino)pyridazine-4-carboxylic acid
CID 80516767
1-[2-(N-ethyl-2-methylanilino)-5-fluorophenyl]ethanone
CID 28556004
2-(N-ethyl-2-methylanilino)-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 79516142
2-(N-ethyl-2-fluoroanilino)-3-fluoropyridine-4-carboxylic acid
CID 105382212
ethane;2-fluoro-3-methylbenzoic acid
CID 145191844
2-(ethylamino)-3-fluoro-N-methyl-N-(2-methylphenyl)benzamide
CID 62661216
3-amino-2-(N-ethyl-4-fluoroanilino)benzoic acid
CID 115934782

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethyl-2-methylanilino)-3-fluorobenzoic acid?
The IUPAC name of 2-(N-ethyl-2-methylanilino)-3-fluorobenzoic acid (CID 63537295) is 2-(N-ethyl-2-methylanilino)-3-fluorobenzoic acid.
What is the SMILES notation for 2-(N-ethyl-2-methylanilino)-3-fluorobenzoic acid?
The canonical SMILES for 2-(N-ethyl-2-methylanilino)-3-fluorobenzoic acid is CCN(c1ccccc1C)c1c(F)cccc1C(=O)O.
What is the InChIKey of 2-(N-ethyl-2-methylanilino)-3-fluorobenzoic acid?
The InChIKey is QAFQNXLICLCRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-3-18(14-10-5-4-7-11(14)2)15-12(16(19)20)8-6-9-13(15)17/h4-10H,3H2,1-2H3,(H,19,20).
What are the key properties of 2-(N-ethyl-2-methylanilino)-3-fluorobenzoic acid?
2-(N-ethyl-2-methylanilino)-3-fluorobenzoic acid has a molecular weight of 273.31 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethyl-2-methylanilino)-3-fluorobenzoic acid is sourced from PubChem (CID 63537295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).