(E)-3-(4-fluorophenyl)-N-(1-phenylpropyl)prop-2-enamide

C18H18FNO — CID 17327962

IUPAC(E)-3-(4-fluorophenyl)-N-(1-phenylpropyl)prop-2-enamide
SMILESCCC(NC(=O)/C=C/c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C18H18FNO/c1-2-17(15-6-4-3-5-7-15)20-18(21)13-10-14-8-11-16(19)12-9-14/h3-13,17H,2H2,1H3,(H,20,21)/b13-10+
InChIKeyVRMLXJGHCKLDHM-JLHYYAGUSA-N
MW283.35 g/mol
LogP4.11
Rot. Bonds5

About (E)-3-(4-fluorophenyl)-N-(1-phenylpropyl)prop-2-enamide

(E)-3-(4-fluorophenyl)-N-(1-phenylpropyl)prop-2-enamide (PubChem CID 17327962) has the molecular formula C18H18FNO and a molecular weight of 283.35 g/mol. Its IUPAC name is (E)-3-(4-fluorophenyl)-N-(1-phenylpropyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-fluorophenyl)-N-(1-phenylpropyl)prop-2-enamide
PubChem CID17327962
Molecular FormulaC18H18FNO
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC Name(E)-3-(4-fluorophenyl)-N-(1-phenylpropyl)prop-2-enamide
SMILESCCC(NC(=O)/C=C/c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C18H18FNO/c1-2-17(15-6-4-3-5-7-15)20-18(21)13-10-14-8-11-16(19)12-9-14/h3-13,17H,2H2,1H3,(H,20,21)/b13-10+
InChIKeyVRMLXJGHCKLDHM-JLHYYAGUSA-N
XLogP4.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-fluorophenyl)-N-[(1S)-3-methyl-1-phenylbutyl]prop-2-enamide
CID 94016192
(E)-3-(4-fluorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]prop-2-enamide
CID 94016193
(E)-N-[(1S)-1-(3,4-dimethylphenyl)propyl]-3-(4-fluorophenyl)prop-2-enamide
CID 99996485
(E)-3-(4-fluorophenyl)-N-(1-phenylethylcarbamothioyl)prop-2-enamide
CID 6308141
4-fluoro-N-[(1S)-1-phenylpropyl]benzamide
CID 781115
(E)-3-(4-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)propyl]prop-2-enamide
CID 844531
3-(4-fluorophenyl)-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]prop-2-enamide
CID 72687764
(3S)-N-[(2S)-1-(2,5-dihydroxy-4-methyl-1H-pyrrol-3-yl)-3-methyl-1-oxobutan-2-yl]-3-[3-(4-fluorophenyl)prop-2-enoylamino]-3-phenylpropanamide
CID 136654719
(E)-3-(4-fluorophenyl)-N-[(R)-phenyl(thiophen-2-yl)methyl]prop-2-enamide
CID 8853725
(Z)-N-[(2R)-1-hydroxybutan-2-yl]-3-phenylprop-2-enamide
CID 92526114
methyl 3-(4-bromophenyl)-3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]propanoate
CID 134015817
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propyl]-3-phenylprop-2-enamide
CID 71843424

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-fluorophenyl)-N-(1-phenylpropyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-fluorophenyl)-N-(1-phenylpropyl)prop-2-enamide (CID 17327962) is (E)-3-(4-fluorophenyl)-N-(1-phenylpropyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-fluorophenyl)-N-(1-phenylpropyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-fluorophenyl)-N-(1-phenylpropyl)prop-2-enamide is CCC(NC(=O)/C=C/c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of (E)-3-(4-fluorophenyl)-N-(1-phenylpropyl)prop-2-enamide?
The InChIKey is VRMLXJGHCKLDHM-JLHYYAGUSA-N. The full InChI is InChI=1S/C18H18FNO/c1-2-17(15-6-4-3-5-7-15)20-18(21)13-10-14-8-11-16(19)12-9-14/h3-13,17H,2H2,1H3,(H,20,21)/b13-10+.
What are the key properties of (E)-3-(4-fluorophenyl)-N-(1-phenylpropyl)prop-2-enamide?
(E)-3-(4-fluorophenyl)-N-(1-phenylpropyl)prop-2-enamide has a molecular weight of 283.35 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-fluorophenyl)-N-(1-phenylpropyl)prop-2-enamide is sourced from PubChem (CID 17327962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).