N-(4-fluorophenyl)-5,5-diphenylpent-4-enamide

C23H20FNO — CID 11624372

IUPACN-(4-fluorophenyl)-5,5-diphenylpent-4-enamide
SMILESO=C(CCC=C(c1ccccc1)c1ccccc1)Nc1ccc(F)cc1
InChIInChI=1S/C23H20FNO/c24-20-14-16-21(17-15-20)25-23(26)13-7-12-22(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-12,14-17H,7,13H2,(H,25,26)
InChIKeyXXMFOUUVALGCHU-UHFFFAOYSA-N
MW345.42 g/mol
LogP5.68
Rot. Bonds6

About N-(4-fluorophenyl)-5,5-diphenylpent-4-enamide

N-(4-fluorophenyl)-5,5-diphenylpent-4-enamide (PubChem CID 11624372) has the molecular formula C23H20FNO and a molecular weight of 345.42 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5,5-diphenylpent-4-enamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5,5-diphenylpent-4-enamide
PubChem CID11624372
Molecular FormulaC23H20FNO
Molecular Weight345.42 g/mol
Exact Mass345.15
IUPAC NameN-(4-fluorophenyl)-5,5-diphenylpent-4-enamide
SMILESO=C(CCC=C(c1ccccc1)c1ccccc1)Nc1ccc(F)cc1
InChIInChI=1S/C23H20FNO/c24-20-14-16-21(17-15-20)25-23(26)13-7-12-22(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-12,14-17H,7,13H2,(H,25,26)
InChIKeyXXMFOUUVALGCHU-UHFFFAOYSA-N
XLogP5.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.42
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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(1-oxo-1-phenylpropan-2-yl) 5-(4-fluoroanilino)-5-oxopentanoate
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N-(4-fluorophenyl)-N'-[(E)-1-phenylpropylideneamino]butanediamide
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5-[3-[(4-fluorophenyl)carbamoyl]anilino]-5-oxopentanoic acid
CID 26158966
4-[3-[(4-fluorophenyl)carbamoyl]anilino]-4-oxobutanoic acid
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N-(4-fluorophenyl)-N'-[(2-hydroxyphenyl)methylideneamino]butanediamide
CID 3766078
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3-fluoro-N-phenylpropanamide
CID 70366284

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5,5-diphenylpent-4-enamide?
The IUPAC name of N-(4-fluorophenyl)-5,5-diphenylpent-4-enamide (CID 11624372) is N-(4-fluorophenyl)-5,5-diphenylpent-4-enamide.
What is the SMILES notation for N-(4-fluorophenyl)-5,5-diphenylpent-4-enamide?
The canonical SMILES for N-(4-fluorophenyl)-5,5-diphenylpent-4-enamide is O=C(CCC=C(c1ccccc1)c1ccccc1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-5,5-diphenylpent-4-enamide?
The InChIKey is XXMFOUUVALGCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FNO/c24-20-14-16-21(17-15-20)25-23(26)13-7-12-22(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-12,14-17H,7,13H2,(H,25,26).
What are the key properties of N-(4-fluorophenyl)-5,5-diphenylpent-4-enamide?
N-(4-fluorophenyl)-5,5-diphenylpent-4-enamide has a molecular weight of 345.42 g/mol, XLogP of 5.68, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-5,5-diphenylpent-4-enamide is sourced from PubChem (CID 11624372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).