4-(N-ethyl-2-fluoroanilino)-2-methylbenzoic acid

C16H16FNO2 — CID 62135800

IUPAC4-(N-ethyl-2-fluoroanilino)-2-methylbenzoic acid
SMILESCCN(c1ccc(C(=O)O)c(C)c1)c1ccccc1F
InChIInChI=1S/C16H16FNO2/c1-3-18(15-7-5-4-6-14(15)17)12-8-9-13(16(19)20)11(2)10-12/h4-10H,3H2,1-2H3,(H,19,20)
InChIKeyJHHLPRIOFQDXJF-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.99
Rot. Bonds4

About 4-(N-ethyl-2-fluoroanilino)-2-methylbenzoic acid

4-(N-ethyl-2-fluoroanilino)-2-methylbenzoic acid (PubChem CID 62135800) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 4-(N-ethyl-2-fluoroanilino)-2-methylbenzoic acid.

Molecular Properties

Compound Name4-(N-ethyl-2-fluoroanilino)-2-methylbenzoic acid
PubChem CID62135800
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name4-(N-ethyl-2-fluoroanilino)-2-methylbenzoic acid
SMILESCCN(c1ccc(C(=O)O)c(C)c1)c1ccccc1F
InChIInChI=1S/C16H16FNO2/c1-3-18(15-7-5-4-6-14(15)17)12-8-9-13(16(19)20)11(2)10-12/h4-10H,3H2,1-2H3,(H,19,20)
InChIKeyJHHLPRIOFQDXJF-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-amino-4-(N-ethyl-2-methylanilino)benzoic acid
CID 104500134
4-(2-aminoethyl)-N-ethyl-N-(2-fluorophenyl)-3-methylaniline
CID 63786193
3-(N-ethyl-2-fluoroanilino)pyridazine-4-carboxylic acid
CID 80516767
2-(N-ethyl-2-methylanilino)-3-fluorobenzoic acid
CID 63537295
2-(N-ethyl-3-methylanilino)-6-fluorobenzoic acid
CID 79523101
4-[ethyl(2-hydroxyethyl)amino]-2-methylbenzoic acid
CID 112694436
2-(N-ethyl-2-fluoroanilino)-3-fluoropyridine-4-carboxylic acid
CID 105382212
2-(N-ethyl-3-fluoroanilino)-3-fluorobenzoic acid
CID 62649705
2-methyl-4-(N-methylanilino)benzoic acid
CID 62136290
4-(N,2-dimethylanilino)-2-fluorobenzoic acid
CID 113319816
2-amino-4-(N-ethyl-4-fluoroanilino)benzoic acid
CID 104500531
4-[3-(dimethylamino)propyl-ethylamino]-2-methylbenzoic acid
CID 102993991

Frequently Asked Questions

What is the IUPAC name of 4-(N-ethyl-2-fluoroanilino)-2-methylbenzoic acid?
The IUPAC name of 4-(N-ethyl-2-fluoroanilino)-2-methylbenzoic acid (CID 62135800) is 4-(N-ethyl-2-fluoroanilino)-2-methylbenzoic acid.
What is the SMILES notation for 4-(N-ethyl-2-fluoroanilino)-2-methylbenzoic acid?
The canonical SMILES for 4-(N-ethyl-2-fluoroanilino)-2-methylbenzoic acid is CCN(c1ccc(C(=O)O)c(C)c1)c1ccccc1F.
What is the InChIKey of 4-(N-ethyl-2-fluoroanilino)-2-methylbenzoic acid?
The InChIKey is JHHLPRIOFQDXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-3-18(15-7-5-4-6-14(15)17)12-8-9-13(16(19)20)11(2)10-12/h4-10H,3H2,1-2H3,(H,19,20).
What are the key properties of 4-(N-ethyl-2-fluoroanilino)-2-methylbenzoic acid?
4-(N-ethyl-2-fluoroanilino)-2-methylbenzoic 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 4-(N-ethyl-2-fluoroanilino)-2-methylbenzoic acid is sourced from PubChem (CID 62135800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).