N-(4-fluorophenyl)-2-[methyl-[(E)-3-phenylprop-2-enyl]amino]acetamide

C18H19FN2O — CID 9252985

IUPACN-(4-fluorophenyl)-2-[methyl-[(E)-3-phenylprop-2-enyl]amino]acetamide
SMILESCN(C/C=C/c1ccccc1)CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H19FN2O/c1-21(13-5-8-15-6-3-2-4-7-15)14-18(22)20-17-11-9-16(19)10-12-17/h2-12H,13-14H2,1H3,(H,20,22)/b8-5+
InChIKeyAIIHWRGQLHDTJS-VMPITWQZSA-N
MW298.36 g/mol
LogP3.41
Rot. Bonds6

About N-(4-fluorophenyl)-2-[methyl-[(E)-3-phenylprop-2-enyl]amino]acetamide

N-(4-fluorophenyl)-2-[methyl-[(E)-3-phenylprop-2-enyl]amino]acetamide (PubChem CID 9252985) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[methyl-[(E)-3-phenylprop-2-enyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[methyl-[(E)-3-phenylprop-2-enyl]amino]acetamide
PubChem CID9252985
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC NameN-(4-fluorophenyl)-2-[methyl-[(E)-3-phenylprop-2-enyl]amino]acetamide
SMILESCN(C/C=C/c1ccccc1)CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H19FN2O/c1-21(13-5-8-15-6-3-2-4-7-15)14-18(22)20-17-11-9-16(19)10-12-17/h2-12H,13-14H2,1H3,(H,20,22)/b8-5+
InChIKeyAIIHWRGQLHDTJS-VMPITWQZSA-N
XLogP3.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide
CID 2608827
2-[(4-fluorophenyl)carbamoyl-methylamino]-N-phenylacetamide
CID 134121107
N-(2,3-dimethylphenyl)-2-[methyl-[(E)-3-phenylprop-2-enyl]amino]acetamide
CID 9287588
N-(4-fluorophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 6470321
N-(4-fluorophenyl)-2-[methyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide
CID 9348198
N-(4-fluorophenyl)-2-[methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]amino]acetamide
CID 9253364
2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253301
ethyl 2-[methyl(3-phenylprop-2-enyl)amino]acetate
CID 76932222
2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253551
2-[[2-(3-cyanoanilino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253306
(E)-3-(4-fluorophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]prop-2-enamide
CID 2127655
2-[dimethylsulfamoyl(methyl)amino]-N-(4-fluorophenyl)acetamide
CID 35329297

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[methyl-[(E)-3-phenylprop-2-enyl]amino]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[methyl-[(E)-3-phenylprop-2-enyl]amino]acetamide (CID 9252985) is N-(4-fluorophenyl)-2-[methyl-[(E)-3-phenylprop-2-enyl]amino]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[methyl-[(E)-3-phenylprop-2-enyl]amino]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[methyl-[(E)-3-phenylprop-2-enyl]amino]acetamide is CN(C/C=C/c1ccccc1)CC(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[methyl-[(E)-3-phenylprop-2-enyl]amino]acetamide?
The InChIKey is AIIHWRGQLHDTJS-VMPITWQZSA-N. The full InChI is InChI=1S/C18H19FN2O/c1-21(13-5-8-15-6-3-2-4-7-15)14-18(22)20-17-11-9-16(19)10-12-17/h2-12H,13-14H2,1H3,(H,20,22)/b8-5+.
What are the key properties of N-(4-fluorophenyl)-2-[methyl-[(E)-3-phenylprop-2-enyl]amino]acetamide?
N-(4-fluorophenyl)-2-[methyl-[(E)-3-phenylprop-2-enyl]amino]acetamide has a molecular weight of 298.36 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[methyl-[(E)-3-phenylprop-2-enyl]amino]acetamide is sourced from PubChem (CID 9252985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).