4-(4-ethoxyphenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-4-oxobutanamide

C21H23FN2O4 — CID 9441183

IUPAC4-(4-ethoxyphenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-4-oxobutanamide
SMILESCCOc1ccc(C(=O)CCC(=O)N(C)CC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C21H23FN2O4/c1-3-28-18-10-4-15(5-11-18)19(25)12-13-21(27)24(2)14-20(26)23-17-8-6-16(22)7-9-17/h4-11H,3,12-14H2,1-2H3,(H,23,26)
InChIKeyVAXZFZTXYQTOGN-UHFFFAOYSA-N
MW386.42 g/mol
LogP3.28
Rot. Bonds9

About 4-(4-ethoxyphenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-4-oxobutanamide

4-(4-ethoxyphenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-4-oxobutanamide (PubChem CID 9441183) has the molecular formula C21H23FN2O4 and a molecular weight of 386.42 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-4-oxobutanamide
PubChem CID9441183
Molecular FormulaC21H23FN2O4
Molecular Weight386.42 g/mol
Exact Mass386.16
IUPAC Name4-(4-ethoxyphenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-4-oxobutanamide
SMILESCCOc1ccc(C(=O)CCC(=O)N(C)CC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C21H23FN2O4/c1-3-28-18-10-4-15(5-11-18)19(25)12-13-21(27)24(2)14-20(26)23-17-8-6-16(22)7-9-17/h4-11H,3,12-14H2,1-2H3,(H,23,26)
InChIKeyVAXZFZTXYQTOGN-UHFFFAOYSA-N
XLogP3.28
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-dimethylphenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-4-oxobutanamide
CID 9426993
[2-(4-fluoroanilino)-2-oxoethyl] 4-(4-ethoxyphenyl)-4-oxobutanoate
CID 7133158
[2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7273946
4-(4-ethoxyphenyl)-N-methyl-4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]butanamide
CID 7974208
N-(4-ethoxyphenyl)-N'-(4-fluorophenyl)propanediamide
CID 108954809
4-(4-ethoxyphenyl)-4-oxo-N-[4-(propanoylamino)phenyl]butanamide
CID 55846229
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-4-(4-ethylphenyl)-N-methyl-4-oxobutanamide
CID 30808188
N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 55328554
N-(3-chloro-4-fluorophenyl)-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 9165977
N-(4-ethoxyphenyl)-2-(4-fluorophenyl)acetamide
CID 2289388
N-(4-ethoxyphenyl)-4-[[2-(4-fluorophenoxy)acetyl]amino]benzamide
CID 26218143
4-ethoxy-N-[2-(4-fluoroanilino)-2-oxoethyl]benzamide
CID 9416291

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-4-oxobutanamide?
The IUPAC name of 4-(4-ethoxyphenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-4-oxobutanamide (CID 9441183) is 4-(4-ethoxyphenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-4-oxobutanamide.
What is the SMILES notation for 4-(4-ethoxyphenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-4-oxobutanamide?
The canonical SMILES for 4-(4-ethoxyphenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-4-oxobutanamide is CCOc1ccc(C(=O)CCC(=O)N(C)CC(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-4-oxobutanamide?
The InChIKey is VAXZFZTXYQTOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O4/c1-3-28-18-10-4-15(5-11-18)19(25)12-13-21(27)24(2)14-20(26)23-17-8-6-16(22)7-9-17/h4-11H,3,12-14H2,1-2H3,(H,23,26).
What are the key properties of 4-(4-ethoxyphenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-4-oxobutanamide?
4-(4-ethoxyphenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-4-oxobutanamide has a molecular weight of 386.42 g/mol, XLogP of 3.28, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-4-oxobutanamide is sourced from PubChem (CID 9441183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).