1-(4-bromophenyl)-3-(2-methoxyphenyl)iminopropan-1-one

C16H14BrNO2 — CID 6921941

IUPAC1-(4-bromophenyl)-3-(2-methoxyphenyl)iminopropan-1-one
SMILESCOc1ccccc1/N=C/CC(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H14BrNO2/c1-20-16-5-3-2-4-14(16)18-11-10-15(19)12-6-8-13(17)9-7-12/h2-9,11H,10H2,1H3/b18-11+
InChIKeyODLXLIULSLSTKJ-WOJGMQOQSA-N
MW332.20 g/mol
LogP4.43
Rot. Bonds5

About 1-(4-bromophenyl)-3-(2-methoxyphenyl)iminopropan-1-one

1-(4-bromophenyl)-3-(2-methoxyphenyl)iminopropan-1-one (PubChem CID 6921941) has the molecular formula C16H14BrNO2 and a molecular weight of 332.20 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(2-methoxyphenyl)iminopropan-1-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(2-methoxyphenyl)iminopropan-1-one
PubChem CID6921941
Molecular FormulaC16H14BrNO2
Molecular Weight332.20 g/mol
Exact Mass331.02
IUPAC Name1-(4-bromophenyl)-3-(2-methoxyphenyl)iminopropan-1-one
SMILESCOc1ccccc1/N=C/CC(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H14BrNO2/c1-20-16-5-3-2-4-14(16)18-11-10-15(19)12-6-8-13(17)9-7-12/h2-9,11H,10H2,1H3/b18-11+
InChIKeyODLXLIULSLSTKJ-WOJGMQOQSA-N
XLogP4.43
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromophenyl)-2-(2-methoxyphenyl)ethanone
CID 43160435
1-(4-bromophenyl)-3-(2,4-dimethylphenyl)iminopropan-1-one
CID 4558822
3-(2,4-dimethoxyphenyl)imino-1-(4-methylphenyl)propan-1-one
CID 7208289
1-(4-bromophenyl)-3-hydroxyiminopropan-1-one
CID 173446959
N-(2-methoxyphenyl)-3-methylbutan-1-imine
CID 67735547
3-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]imino-1-phenylpropan-1-one
CID 123737865
1-(4-bromophenyl)-2-(2,6-dimethoxyphenoxy)ethanone
CID 43799628
1-(4-bromophenyl)-3-(3-hydroxyphenyl)iminopropan-1-one
CID 4131664
3-[3-fluoro-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]imino-1-phenylpropan-1-one
CID 123184014
methyl 4-[(3-oxo-3-phenylpropylidene)amino]benzoate
CID 91896741
1-(4-bromophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]ethanone
CID 60650801
1-(4-aminophenyl)-3-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]iminopropan-1-one
CID 123766955

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(2-methoxyphenyl)iminopropan-1-one?
The IUPAC name of 1-(4-bromophenyl)-3-(2-methoxyphenyl)iminopropan-1-one (CID 6921941) is 1-(4-bromophenyl)-3-(2-methoxyphenyl)iminopropan-1-one.
What is the SMILES notation for 1-(4-bromophenyl)-3-(2-methoxyphenyl)iminopropan-1-one?
The canonical SMILES for 1-(4-bromophenyl)-3-(2-methoxyphenyl)iminopropan-1-one is COc1ccccc1/N=C/CC(=O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-(2-methoxyphenyl)iminopropan-1-one?
The InChIKey is ODLXLIULSLSTKJ-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H14BrNO2/c1-20-16-5-3-2-4-14(16)18-11-10-15(19)12-6-8-13(17)9-7-12/h2-9,11H,10H2,1H3/b18-11+.
What are the key properties of 1-(4-bromophenyl)-3-(2-methoxyphenyl)iminopropan-1-one?
1-(4-bromophenyl)-3-(2-methoxyphenyl)iminopropan-1-one has a molecular weight of 332.20 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(2-methoxyphenyl)iminopropan-1-one is sourced from PubChem (CID 6921941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).