3-[2-(4-fluorophenyl)ethenyl]-4-methoxybenzamide

C16H14FNO2 — CID 67002282

IUPAC3-[2-(4-fluorophenyl)ethenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1C=Cc1ccc(F)cc1
InChIInChI=1S/C16H14FNO2/c1-20-15-9-6-13(16(18)19)10-12(15)5-2-11-3-7-14(17)8-4-11/h2-10H,1H3,(H2,18,19)
InChIKeyBFVPZOLHFLBVGX-UHFFFAOYSA-N
MW271.29 g/mol
LogP3.10
Rot. Bonds4

About 3-[2-(4-fluorophenyl)ethenyl]-4-methoxybenzamide

3-[2-(4-fluorophenyl)ethenyl]-4-methoxybenzamide (PubChem CID 67002282) has the molecular formula C16H14FNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)ethenyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)ethenyl]-4-methoxybenzamide
PubChem CID67002282
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC Name3-[2-(4-fluorophenyl)ethenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1C=Cc1ccc(F)cc1
InChIInChI=1S/C16H14FNO2/c1-20-15-9-6-13(16(18)19)10-12(15)5-2-11-3-7-14(17)8-4-11/h2-10H,1H3,(H2,18,19)
InChIKeyBFVPZOLHFLBVGX-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(E)-2-(4-bromophenyl)ethenyl]-4-methoxybenzamide
CID 23141385
4-methoxy-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzamide
CID 23141524
3-[2-(4-bromo-2-fluorophenyl)ethenyl]-4-methoxybenzamide
CID 67002301
4-ethoxy-3-[(E)-2-(4-fluorophenyl)ethenyl]benzoic acid
CID 69075311
3-formyl-4-methoxybenzamide
CID 23141386
3-[(E)-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-4-methoxybenzamide
CID 59265123
ethyl 4-methoxy-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzoate
CID 23141481
3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-fluoro-2-hydroxybenzamide
CID 178068620
4-(2-amino-5-fluorophenoxy)-3-methoxybenzamide
CID 62376981
3-(5-fluoro-2-methoxyphenyl)prop-2-enal
CID 131847071
3-[2-(4-chlorophenyl)ethenyl]-N-(2-hydroxyethyl)-4-methoxybenzamide
CID 67002277
methyl 4-[(E)-3-(4-fluorophenyl)prop-2-enoyl]oxy-3-methoxybenzoate
CID 26213210

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)ethenyl]-4-methoxybenzamide?
The IUPAC name of 3-[2-(4-fluorophenyl)ethenyl]-4-methoxybenzamide (CID 67002282) is 3-[2-(4-fluorophenyl)ethenyl]-4-methoxybenzamide.
What is the SMILES notation for 3-[2-(4-fluorophenyl)ethenyl]-4-methoxybenzamide?
The canonical SMILES for 3-[2-(4-fluorophenyl)ethenyl]-4-methoxybenzamide is COc1ccc(C(N)=O)cc1C=Cc1ccc(F)cc1.
What is the InChIKey of 3-[2-(4-fluorophenyl)ethenyl]-4-methoxybenzamide?
The InChIKey is BFVPZOLHFLBVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2/c1-20-15-9-6-13(16(18)19)10-12(15)5-2-11-3-7-14(17)8-4-11/h2-10H,1H3,(H2,18,19).
What are the key properties of 3-[2-(4-fluorophenyl)ethenyl]-4-methoxybenzamide?
3-[2-(4-fluorophenyl)ethenyl]-4-methoxybenzamide has a molecular weight of 271.29 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)ethenyl]-4-methoxybenzamide is sourced from PubChem (CID 67002282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).