3-[2-(4-fluorophenyl)-2-oxo-1-phenylethoxy]-4-methyl-N-phenylpent-2-enamide

C26H24FNO3 — CID 66766447

IUPAC3-[2-(4-fluorophenyl)-2-oxo-1-phenylethoxy]-4-methyl-N-phenylpent-2-enamide
SMILESCC(C)C(=CC(=O)Nc1ccccc1)OC(C(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C26H24FNO3/c1-18(2)23(17-24(29)28-22-11-7-4-8-12-22)31-26(20-9-5-3-6-10-20)25(30)19-13-15-21(27)16-14-19/h3-18,26H,1-2H3,(H,28,29)
InChIKeyMRFCXPIEZFMKES-UHFFFAOYSA-N
MW417.48 g/mol
LogP5.94
Rot. Bonds8

About 3-[2-(4-fluorophenyl)-2-oxo-1-phenylethoxy]-4-methyl-N-phenylpent-2-enamide

3-[2-(4-fluorophenyl)-2-oxo-1-phenylethoxy]-4-methyl-N-phenylpent-2-enamide (PubChem CID 66766447) has the molecular formula C26H24FNO3 and a molecular weight of 417.48 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)-2-oxo-1-phenylethoxy]-4-methyl-N-phenylpent-2-enamide.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)-2-oxo-1-phenylethoxy]-4-methyl-N-phenylpent-2-enamide
PubChem CID66766447
Molecular FormulaC26H24FNO3
Molecular Weight417.48 g/mol
Exact Mass417.17
IUPAC Name3-[2-(4-fluorophenyl)-2-oxo-1-phenylethoxy]-4-methyl-N-phenylpent-2-enamide
SMILESCC(C)C(=CC(=O)Nc1ccccc1)OC(C(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C26H24FNO3/c1-18(2)23(17-24(29)28-22-11-7-4-8-12-22)31-26(20-9-5-3-6-10-20)25(30)19-13-15-21(27)16-14-19/h3-18,26H,1-2H3,(H,28,29)
InChIKeyMRFCXPIEZFMKES-UHFFFAOYSA-N
XLogP5.94
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.48
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[2-(4-Acetylanilino)-2-oxoethyl] 2,4-difluorobenzoate
CID 2386868
2-Oxo-2-phenylethyl 2-anilinobenzoate
CID 607001
N-(2,4-difluorophenyl)-2-methoxy-2-phenylacetamide
CID 2930312
2-Oxo-2-phenylethyl 2-[(2-fluorophenyl)amino]benzoate
CID 2725405
3-((4-Fluorophenyl)carbonyl)-2-(2-methylpropanoyl)-N,3-diphenyloxirane-2-carboxamide
CID 11976726
2-(4-Methylphenyl)-2-oxoethyl 3-(acetylamino)-4-methylbenzoate
CID 887497
N-{3-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl}benzamide
CID 902794
2-[2-(4-methylphenyl)-2-oxoethoxy]-N-phenylbenzamide
CID 1218686
4-Benzoylbenzyl 2-(acetylamino)benzoate
CID 1262376
Benzhydryl 2-(propanoylamino)benzoate
CID 1309991
N-(4-fluorophenyl)-4-(phenoxymethyl)benzamide
CID 2195056
[2-(4-Acetamidoanilino)-2-oxoethyl] 2-benzoylbenzoate
CID 2621873

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)-2-oxo-1-phenylethoxy]-4-methyl-N-phenylpent-2-enamide?
The IUPAC name of 3-[2-(4-fluorophenyl)-2-oxo-1-phenylethoxy]-4-methyl-N-phenylpent-2-enamide (CID 66766447) is 3-[2-(4-fluorophenyl)-2-oxo-1-phenylethoxy]-4-methyl-N-phenylpent-2-enamide.
What is the SMILES notation for 3-[2-(4-fluorophenyl)-2-oxo-1-phenylethoxy]-4-methyl-N-phenylpent-2-enamide?
The canonical SMILES for 3-[2-(4-fluorophenyl)-2-oxo-1-phenylethoxy]-4-methyl-N-phenylpent-2-enamide is CC(C)C(=CC(=O)Nc1ccccc1)OC(C(=O)c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of 3-[2-(4-fluorophenyl)-2-oxo-1-phenylethoxy]-4-methyl-N-phenylpent-2-enamide?
The InChIKey is MRFCXPIEZFMKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FNO3/c1-18(2)23(17-24(29)28-22-11-7-4-8-12-22)31-26(20-9-5-3-6-10-20)25(30)19-13-15-21(27)16-14-19/h3-18,26H,1-2H3,(H,28,29).
What are the key properties of 3-[2-(4-fluorophenyl)-2-oxo-1-phenylethoxy]-4-methyl-N-phenylpent-2-enamide?
3-[2-(4-fluorophenyl)-2-oxo-1-phenylethoxy]-4-methyl-N-phenylpent-2-enamide has a molecular weight of 417.48 g/mol, XLogP of 5.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)-2-oxo-1-phenylethoxy]-4-methyl-N-phenylpent-2-enamide is sourced from PubChem (CID 66766447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).