3-(3-fluorophenyl)-N-(3-phenylpropyl)prop-2-enamide

C18H18FNO — CID 4810838

IUPAC3-(3-fluorophenyl)-N-(3-phenylpropyl)prop-2-enamide
SMILESO=C(C=Cc1cccc(F)c1)NCCCc1ccccc1
InChIInChI=1S/C18H18FNO/c19-17-10-4-8-16(14-17)11-12-18(21)20-13-5-9-15-6-2-1-3-7-15/h1-4,6-8,10-12,14H,5,9,13H2,(H,20,21)
InChIKeyAGYLAMOLHXCSFU-UHFFFAOYSA-N
MW283.35 g/mol
LogP3.59
Rot. Bonds6

About 3-(3-fluorophenyl)-N-(3-phenylpropyl)prop-2-enamide

3-(3-fluorophenyl)-N-(3-phenylpropyl)prop-2-enamide (PubChem CID 4810838) has the molecular formula C18H18FNO and a molecular weight of 283.35 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-(3-phenylpropyl)prop-2-enamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-(3-phenylpropyl)prop-2-enamide
PubChem CID4810838
Molecular FormulaC18H18FNO
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC Name3-(3-fluorophenyl)-N-(3-phenylpropyl)prop-2-enamide
SMILESO=C(C=Cc1cccc(F)c1)NCCCc1ccccc1
InChIInChI=1S/C18H18FNO/c19-17-10-4-8-16(14-17)11-12-18(21)20-13-5-9-15-6-2-1-3-7-15/h1-4,6-8,10-12,14H,5,9,13H2,(H,20,21)
InChIKeyAGYLAMOLHXCSFU-UHFFFAOYSA-N
XLogP3.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[3-[benzyl(methyl)amino]propyl]-3-(3-fluorophenyl)prop-2-enamide
CID 46540605
(E)-N-[4-(dimethylamino)butyl]-3-(3-fluorophenyl)prop-2-enamide
CID 84563566
(E)-3-(3-fluorophenyl)-N-[2-(4-propan-2-ylphenyl)ethyl]prop-2-enamide
CID 7916981
3-(4-chlorophenyl)-N-(3-phenylpropyl)prop-2-enamide
CID 2931567
(E)-3-(3-fluorophenyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]prop-2-enamide
CID 108932618
3-[[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]methyl]benzoic acid
CID 84761715
(E)-3-(3-fluorophenyl)-N-phenylmethoxyprop-2-enamide
CID 32577096
3-(3-fluorophenyl)-N-(3-hydroxybutyl)prop-2-enamide
CID 77037539
(E)-3-(3-amino-4-fluorophenyl)-N-(2-phenylethyl)prop-2-enamide
CID 39384361
3-fluoro-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]benzamide
CID 108574693
(E)-3-(4-tert-butylphenyl)-N-(3-phenylpropyl)prop-2-enamide
CID 6278792
N-(2-amino-2-oxoethyl)-3-(3-fluorophenyl)prop-2-enamide
CID 78911945

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-(3-phenylpropyl)prop-2-enamide?
The IUPAC name of 3-(3-fluorophenyl)-N-(3-phenylpropyl)prop-2-enamide (CID 4810838) is 3-(3-fluorophenyl)-N-(3-phenylpropyl)prop-2-enamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-(3-phenylpropyl)prop-2-enamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-(3-phenylpropyl)prop-2-enamide is O=C(C=Cc1cccc(F)c1)NCCCc1ccccc1.
What is the InChIKey of 3-(3-fluorophenyl)-N-(3-phenylpropyl)prop-2-enamide?
The InChIKey is AGYLAMOLHXCSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO/c19-17-10-4-8-16(14-17)11-12-18(21)20-13-5-9-15-6-2-1-3-7-15/h1-4,6-8,10-12,14H,5,9,13H2,(H,20,21).
What are the key properties of 3-(3-fluorophenyl)-N-(3-phenylpropyl)prop-2-enamide?
3-(3-fluorophenyl)-N-(3-phenylpropyl)prop-2-enamide has a molecular weight of 283.35 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-(3-phenylpropyl)prop-2-enamide is sourced from PubChem (CID 4810838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).