(E)-3-(3-fluorophenyl)-N-phenylmethoxyprop-2-enamide

C16H14FNO2 — CID 32577096

IUPAC(E)-3-(3-fluorophenyl)-N-phenylmethoxyprop-2-enamide
SMILESO=C(/C=C/c1cccc(F)c1)NOCc1ccccc1
InChIInChI=1S/C16H14FNO2/c17-15-8-4-7-13(11-15)9-10-16(19)18-20-12-14-5-2-1-3-6-14/h1-11H,12H2,(H,18,19)/b10-9+
InChIKeyCGXWCHHAGMHERO-MDZDMXLPSA-N
MW271.29 g/mol
LogP3.09
Rot. Bonds5

About (E)-3-(3-fluorophenyl)-N-phenylmethoxyprop-2-enamide

(E)-3-(3-fluorophenyl)-N-phenylmethoxyprop-2-enamide (PubChem CID 32577096) has the molecular formula C16H14FNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is (E)-3-(3-fluorophenyl)-N-phenylmethoxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-fluorophenyl)-N-phenylmethoxyprop-2-enamide
PubChem CID32577096
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC Name(E)-3-(3-fluorophenyl)-N-phenylmethoxyprop-2-enamide
SMILESO=C(/C=C/c1cccc(F)c1)NOCc1ccccc1
InChIInChI=1S/C16H14FNO2/c17-15-8-4-7-13(11-15)9-10-16(19)18-20-12-14-5-2-1-3-6-14/h1-11H,12H2,(H,18,19)/b10-9+
InChIKeyCGXWCHHAGMHERO-MDZDMXLPSA-N
XLogP3.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-chloro-4-fluorophenyl)-N-phenylmethoxyprop-2-enamide
CID 78906732
3-(3-fluorophenyl)-N-(3-phenylpropyl)prop-2-enamide
CID 4810838
(E)-3-(4-ethoxyphenyl)-N-phenylmethoxyprop-2-enamide
CID 9227515
N-(2-amino-2-oxoethyl)-3-(3-fluorophenyl)prop-2-enamide
CID 78911945
3-[[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]methyl]benzoic acid
CID 84761715
(E)-N-[3-[benzyl(methyl)amino]propyl]-3-(3-fluorophenyl)prop-2-enamide
CID 46540605
(E)-N-(2,2-difluoro-3-hydroxypropyl)-3-(3-fluorophenyl)prop-2-enamide
CID 104857440
(1E,4E)-1-(3-fluorophenyl)-5-(3-hydroxyphenyl)penta-1,4-dien-3-one
CID 56839366
(E)-3-(3-fluorophenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 9330259
3-(3-fluorophenyl)-N-[4-(hydroxymethyl)phenyl]prop-2-enamide
CID 77042676
N-benzyl-3-(3-fluorophenyl)-N-methylprop-2-enamide
CID 78774303
methyl 2-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]-3-hydroxypropanoate
CID 43407052

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-fluorophenyl)-N-phenylmethoxyprop-2-enamide?
The IUPAC name of (E)-3-(3-fluorophenyl)-N-phenylmethoxyprop-2-enamide (CID 32577096) is (E)-3-(3-fluorophenyl)-N-phenylmethoxyprop-2-enamide.
What is the SMILES notation for (E)-3-(3-fluorophenyl)-N-phenylmethoxyprop-2-enamide?
The canonical SMILES for (E)-3-(3-fluorophenyl)-N-phenylmethoxyprop-2-enamide is O=C(/C=C/c1cccc(F)c1)NOCc1ccccc1.
What is the InChIKey of (E)-3-(3-fluorophenyl)-N-phenylmethoxyprop-2-enamide?
The InChIKey is CGXWCHHAGMHERO-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H14FNO2/c17-15-8-4-7-13(11-15)9-10-16(19)18-20-12-14-5-2-1-3-6-14/h1-11H,12H2,(H,18,19)/b10-9+.
What are the key properties of (E)-3-(3-fluorophenyl)-N-phenylmethoxyprop-2-enamide?
(E)-3-(3-fluorophenyl)-N-phenylmethoxyprop-2-enamide has a molecular weight of 271.29 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-fluorophenyl)-N-phenylmethoxyprop-2-enamide is sourced from PubChem (CID 32577096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).