3-[(E)-2-(4-bromophenyl)ethenyl]-4-methoxybenzamide

C16H14BrNO2 — CID 23141385

IUPAC3-[(E)-2-(4-bromophenyl)ethenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1/C=C/c1ccc(Br)cc1
InChIInChI=1S/C16H14BrNO2/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)/b5-2+
InChIKeyJYNQEMWBZFWHJC-GORDUTHDSA-N
MW332.20 g/mol
LogP3.73
Rot. Bonds4

About 3-[(E)-2-(4-bromophenyl)ethenyl]-4-methoxybenzamide

3-[(E)-2-(4-bromophenyl)ethenyl]-4-methoxybenzamide (PubChem CID 23141385) has the molecular formula C16H14BrNO2 and a molecular weight of 332.20 g/mol. Its IUPAC name is 3-[(E)-2-(4-bromophenyl)ethenyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-[(E)-2-(4-bromophenyl)ethenyl]-4-methoxybenzamide
PubChem CID23141385
Molecular FormulaC16H14BrNO2
Molecular Weight332.20 g/mol
Exact Mass331.02
IUPAC Name3-[(E)-2-(4-bromophenyl)ethenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1/C=C/c1ccc(Br)cc1
InChIInChI=1S/C16H14BrNO2/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)/b5-2+
InChIKeyJYNQEMWBZFWHJC-GORDUTHDSA-N
XLogP3.73
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 53.73
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-[2-(4-fluorophenyl)ethenyl]-4-methoxybenzamide
CID 67002282
4-methoxy-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzamide
CID 23141524
3-[2-(4-bromo-2-fluorophenyl)ethenyl]-4-methoxybenzamide
CID 67002301
3-formyl-4-methoxybenzamide
CID 23141386
3-[(E)-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-4-methoxybenzamide
CID 59265123
4-bromo-3-[(E)-2-(4-chlorophenyl)ethenyl]benzamide
CID 23141518
ethyl 4-methoxy-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzoate
CID 23141481
4-[(E)-2-(2-bromo-4,5-dimethoxyphenyl)ethenyl]-N-hydroxybenzamide
CID 171352733
(Z)-3-(4-bromophenyl)-2-(3,4-dimethoxyphenyl)prop-2-enoic acid
CID 1265001
3-[(4-bromophenyl)sulfamoyl]-4-methoxybenzamide
CID 166186504
3-(5-bromo-2-methoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 2880937
(E)-3-(5-bromo-2-methoxyphenyl)-N-(diaminomethylidene)prop-2-enamide
CID 11358434

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(4-bromophenyl)ethenyl]-4-methoxybenzamide?
The IUPAC name of 3-[(E)-2-(4-bromophenyl)ethenyl]-4-methoxybenzamide (CID 23141385) is 3-[(E)-2-(4-bromophenyl)ethenyl]-4-methoxybenzamide.
What is the SMILES notation for 3-[(E)-2-(4-bromophenyl)ethenyl]-4-methoxybenzamide?
The canonical SMILES for 3-[(E)-2-(4-bromophenyl)ethenyl]-4-methoxybenzamide is COc1ccc(C(N)=O)cc1/C=C/c1ccc(Br)cc1.
What is the InChIKey of 3-[(E)-2-(4-bromophenyl)ethenyl]-4-methoxybenzamide?
The InChIKey is JYNQEMWBZFWHJC-GORDUTHDSA-N. The full InChI is InChI=1S/C16H14BrNO2/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)/b5-2+.
What are the key properties of 3-[(E)-2-(4-bromophenyl)ethenyl]-4-methoxybenzamide?
3-[(E)-2-(4-bromophenyl)ethenyl]-4-methoxybenzamide has a molecular weight of 332.20 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(4-bromophenyl)ethenyl]-4-methoxybenzamide is sourced from PubChem (CID 23141385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).