N-(4-anilinophenyl)-4-(4-fluorophenyl)-4-oxobutanamide

C22H19FN2O2 — CID 46467442

IUPACN-(4-anilinophenyl)-4-(4-fluorophenyl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(F)cc1)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C22H19FN2O2/c23-17-8-6-16(7-9-17)21(26)14-15-22(27)25-20-12-10-19(11-13-20)24-18-4-2-1-3-5-18/h1-13,24H,14-15H2,(H,25,27)
InChIKeyPGLAXPYXUHTXEJ-UHFFFAOYSA-N
MW362.40 g/mol
LogP5.17
Rot. Bonds7

About N-(4-anilinophenyl)-4-(4-fluorophenyl)-4-oxobutanamide

N-(4-anilinophenyl)-4-(4-fluorophenyl)-4-oxobutanamide (PubChem CID 46467442) has the molecular formula C22H19FN2O2 and a molecular weight of 362.40 g/mol. Its IUPAC name is N-(4-anilinophenyl)-4-(4-fluorophenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-4-(4-fluorophenyl)-4-oxobutanamide
PubChem CID46467442
Molecular FormulaC22H19FN2O2
Molecular Weight362.40 g/mol
Exact Mass362.14
IUPAC NameN-(4-anilinophenyl)-4-(4-fluorophenyl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(F)cc1)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C22H19FN2O2/c23-17-8-6-16(7-9-17)21(26)14-15-22(27)25-20-12-10-19(11-13-20)24-18-4-2-1-3-5-18/h1-13,24H,14-15H2,(H,25,27)
InChIKeyPGLAXPYXUHTXEJ-UHFFFAOYSA-N
XLogP5.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.40
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-fluorophenyl)-N-(4-hydroxyphenyl)-4-oxobutanamide
CID 51186783
4-oxo-N,4-diphenylbutanamide
CID 825307
4-(4-chlorophenyl)-N-(4-fluorophenyl)-4-oxobutanamide
CID 42029067
4-[(4-oxo-4-phenylbutanoyl)amino]benzamide
CID 9441934
3-[[4-(4-fluorophenyl)-4-oxobutanoyl]amino]benzoic acid
CID 108795529
4-(4-methylphenyl)-4-oxo-N-phenylbutanamide
CID 956933
N-(3,4-difluorophenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 9165788
4-(4-anilinoanilino)-4-oxobutanoic acid
CID 3582838
4-(4-fluorophenyl)-4-oxo-N-(4-sulfamoylphenyl)butanamide
CID 4850003
4-(3,4-dimethylphenyl)-N-(4-fluorophenyl)-4-oxobutanamide
CID 9040199
N-methyl-4-[(4-oxo-4-phenylbutanoyl)amino]benzamide
CID 9164611
N-(4-anilinophenyl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 52710157

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-4-(4-fluorophenyl)-4-oxobutanamide?
The IUPAC name of N-(4-anilinophenyl)-4-(4-fluorophenyl)-4-oxobutanamide (CID 46467442) is N-(4-anilinophenyl)-4-(4-fluorophenyl)-4-oxobutanamide.
What is the SMILES notation for N-(4-anilinophenyl)-4-(4-fluorophenyl)-4-oxobutanamide?
The canonical SMILES for N-(4-anilinophenyl)-4-(4-fluorophenyl)-4-oxobutanamide is O=C(CCC(=O)c1ccc(F)cc1)Nc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of N-(4-anilinophenyl)-4-(4-fluorophenyl)-4-oxobutanamide?
The InChIKey is PGLAXPYXUHTXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O2/c23-17-8-6-16(7-9-17)21(26)14-15-22(27)25-20-12-10-19(11-13-20)24-18-4-2-1-3-5-18/h1-13,24H,14-15H2,(H,25,27).
What are the key properties of N-(4-anilinophenyl)-4-(4-fluorophenyl)-4-oxobutanamide?
N-(4-anilinophenyl)-4-(4-fluorophenyl)-4-oxobutanamide has a molecular weight of 362.40 g/mol, XLogP of 5.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-4-(4-fluorophenyl)-4-oxobutanamide is sourced from PubChem (CID 46467442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).