(E)-2-(4-fluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide

C16H14FNO2 — CID 143788230

IUPAC(E)-2-(4-fluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C(/C(N)=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H14FNO2/c1-20-14-8-2-11(3-9-14)10-15(16(18)19)12-4-6-13(17)7-5-12/h2-10H,1H3,(H2,18,19)/b15-10+
InChIKeyTYSTYAOWSUWBOJ-XNTDXEJSSA-N
MW271.29 g/mol
LogP2.86
Rot. Bonds4

About (E)-2-(4-fluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide

(E)-2-(4-fluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide (PubChem CID 143788230) has the molecular formula C16H14FNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is (E)-2-(4-fluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-(4-fluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
PubChem CID143788230
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC Name(E)-2-(4-fluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C(/C(N)=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H14FNO2/c1-20-14-8-2-11(3-9-14)10-15(16(18)19)12-4-6-13(17)7-5-12/h2-10H,1H3,(H2,18,19)/b15-10+
InChIKeyTYSTYAOWSUWBOJ-XNTDXEJSSA-N
XLogP2.86
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-2,3-bis(4-methoxyphenyl)prop-2-enamide
CID 11358044
N-(2-aminophenyl)-4-methylbenzamide;(E)-2-(4-fluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 143788229
(E)-3-(4-fluorophenyl)-2-phenylprop-2-enamide
CID 143788197
(Z)-3-(4-fluorophenyl)-2-(4-methoxy-2-methylphenyl)prop-2-enoic acid
CID 83955695
(E)-N-[(1S)-1-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 28566628
(Z)-3-(4-fluorophenyl)-2-methoxy-N-(4-methoxyphenyl)prop-2-enamide
CID 56968407
(Z)-3-(4-ethoxyphenyl)-2-(4-fluorophenyl)prop-2-enoic acid
CID 83950433
2-methoxy-3-(4-methoxyphenyl)prop-2-enamide
CID 165349278
(Z)-1-(4-methoxyphenyl)-2,3-diphenylprop-2-en-1-one
CID 5372226
(E)-2-(4-methoxyphenyl)hex-2-enamide
CID 67977554
N-[(E)-(4-fluorophenyl)methylideneamino]-4-methoxybenzamide
CID 6870619
(4-methoxyphenyl) 3-(4-fluorophenyl)prop-2-enoate
CID 724777

Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-fluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-2-(4-fluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide (CID 143788230) is (E)-2-(4-fluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-2-(4-fluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-2-(4-fluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide is COc1ccc(/C=C(/C(N)=O)c2ccc(F)cc2)cc1.
What is the InChIKey of (E)-2-(4-fluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide?
The InChIKey is TYSTYAOWSUWBOJ-XNTDXEJSSA-N. The full InChI is InChI=1S/C16H14FNO2/c1-20-14-8-2-11(3-9-14)10-15(16(18)19)12-4-6-13(17)7-5-12/h2-10H,1H3,(H2,18,19)/b15-10+.
What are the key properties of (E)-2-(4-fluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide?
(E)-2-(4-fluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide has a molecular weight of 271.29 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-fluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 143788230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).