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

C16H13BrFNO2 — CID 67002301

IUPAC3-[2-(4-bromo-2-fluorophenyl)ethenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1C=Cc1ccc(Br)cc1F
InChIInChI=1S/C16H13BrFNO2/c1-21-15-7-5-12(16(19)20)8-11(15)3-2-10-4-6-13(17)9-14(10)18/h2-9H,1H3,(H2,19,20)
InChIKeyRPZHFCXFJYYSCU-UHFFFAOYSA-N
MW350.19 g/mol
LogP3.87
Rot. Bonds4

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

3-[2-(4-bromo-2-fluorophenyl)ethenyl]-4-methoxybenzamide (PubChem CID 67002301) has the molecular formula C16H13BrFNO2 and a molecular weight of 350.19 g/mol. Its IUPAC name is 3-[2-(4-bromo-2-fluorophenyl)ethenyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-[2-(4-bromo-2-fluorophenyl)ethenyl]-4-methoxybenzamide
PubChem CID67002301
Molecular FormulaC16H13BrFNO2
Molecular Weight350.19 g/mol
Exact Mass349.01
IUPAC Name3-[2-(4-bromo-2-fluorophenyl)ethenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1C=Cc1ccc(Br)cc1F
InChIInChI=1S/C16H13BrFNO2/c1-21-15-7-5-12(16(19)20)8-11(15)3-2-10-4-6-13(17)9-14(10)18/h2-9H,1H3,(H2,19,20)
InChIKeyRPZHFCXFJYYSCU-UHFFFAOYSA-N
XLogP3.87
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.19
LogP ≤ 53.87
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
3-[(E)-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-4-methoxybenzamide
CID 59265123
3-[2-(4-fluorophenyl)ethenyl]-4-methoxybenzamide
CID 67002282
3-formyl-4-methoxybenzamide
CID 23141386
4-methoxy-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzamide
CID 23141524
methyl (E)-3-(4-bromo-2-fluorophenyl)prop-2-enoate
CID 18989439
(E)-3-(5-bromo-2-methoxyphenyl)-1-(4-chlorophenyl)prop-2-en-1-one
CID 5346121
N-(4-bromo-2-fluorophenyl)-3-(5-bromo-2-methoxyphenyl)prop-2-enamide
CID 3990613
4-amino-3-(4-bromo-2-fluorophenoxy)benzamide
CID 63356585
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
N-(2-amino-2-oxoethyl)-3-(5-bromo-2-methoxyphenyl)prop-2-enamide
CID 78911973

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-bromo-2-fluorophenyl)ethenyl]-4-methoxybenzamide?
The IUPAC name of 3-[2-(4-bromo-2-fluorophenyl)ethenyl]-4-methoxybenzamide (CID 67002301) is 3-[2-(4-bromo-2-fluorophenyl)ethenyl]-4-methoxybenzamide.
What is the SMILES notation for 3-[2-(4-bromo-2-fluorophenyl)ethenyl]-4-methoxybenzamide?
The canonical SMILES for 3-[2-(4-bromo-2-fluorophenyl)ethenyl]-4-methoxybenzamide is COc1ccc(C(N)=O)cc1C=Cc1ccc(Br)cc1F.
What is the InChIKey of 3-[2-(4-bromo-2-fluorophenyl)ethenyl]-4-methoxybenzamide?
The InChIKey is RPZHFCXFJYYSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFNO2/c1-21-15-7-5-12(16(19)20)8-11(15)3-2-10-4-6-13(17)9-14(10)18/h2-9H,1H3,(H2,19,20).
What are the key properties of 3-[2-(4-bromo-2-fluorophenyl)ethenyl]-4-methoxybenzamide?
3-[2-(4-bromo-2-fluorophenyl)ethenyl]-4-methoxybenzamide has a molecular weight of 350.19 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-bromo-2-fluorophenyl)ethenyl]-4-methoxybenzamide is sourced from PubChem (CID 67002301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).