3-(benzylideneamino)-1-(4-bromophenyl)propan-1-one

C16H14BrNO — CID 67666584

IUPAC3-(benzylideneamino)-1-(4-bromophenyl)propan-1-one
SMILESO=C(CC/N=C/c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C16H14BrNO/c17-15-8-6-14(7-9-15)16(19)10-11-18-12-13-4-2-1-3-5-13/h1-9,12H,10-11H2/b18-12+
InChIKeyCVUISXQPUNMBEW-LDADJPATSA-N
MW316.20 g/mol
LogP4.14
Rot. Bonds5

About 3-(benzylideneamino)-1-(4-bromophenyl)propan-1-one

3-(benzylideneamino)-1-(4-bromophenyl)propan-1-one (PubChem CID 67666584) has the molecular formula C16H14BrNO and a molecular weight of 316.20 g/mol. Its IUPAC name is 3-(benzylideneamino)-1-(4-bromophenyl)propan-1-one.

Molecular Properties

Compound Name3-(benzylideneamino)-1-(4-bromophenyl)propan-1-one
PubChem CID67666584
Molecular FormulaC16H14BrNO
Molecular Weight316.20 g/mol
Exact Mass315.03
IUPAC Name3-(benzylideneamino)-1-(4-bromophenyl)propan-1-one
SMILESO=C(CC/N=C/c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C16H14BrNO/c17-15-8-6-14(7-9-15)16(19)10-11-18-12-13-4-2-1-3-5-13/h1-9,12H,10-11H2/b18-12+
InChIKeyCVUISXQPUNMBEW-LDADJPATSA-N
XLogP4.14
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromophenyl)-2-[4-[(E)-2-phenylethenyl]pyridin-1-ium-1-yl]ethanone;hydrobromide
CID 126959386
(E)-3-[4-[2-(benzylideneamino)acetyl]phenyl]-N-hydroxyprop-2-enamide
CID 157186787
1-(4-bromophenyl)-2-(N-hydroxyanilino)ethanone
CID 152595651
1-(4-bromophenyl)-2-phosphanylethanone;hydrobromide
CID 173013220
2-[(4-bromophenyl)methylideneamino]ethanamine
CID 141259105
4-[2-[(4-oxo-4-phenylbutylidene)amino]ethylimino]-1-phenylbutan-1-one
CID 71435376
4-benzylsulfinyl-1-(4-bromophenyl)butan-1-one
CID 64640256
1-(4-bromophenyl)-3-(4-phenylanilino)propan-1-one
CID 602905
methyl 6-(benzylideneamino)hexanoate
CID 11020797
1-(4-bromophenyl)-4-(N-methylanilino)butan-1-one
CID 43229292
1-(4-bromophenyl)-3-[methyl(2-phenylethyl)amino]propan-1-one
CID 65488620
1-(4-bromophenyl)-4-fluorobutan-1-one
CID 67476935

Frequently Asked Questions

What is the IUPAC name of 3-(benzylideneamino)-1-(4-bromophenyl)propan-1-one?
The IUPAC name of 3-(benzylideneamino)-1-(4-bromophenyl)propan-1-one (CID 67666584) is 3-(benzylideneamino)-1-(4-bromophenyl)propan-1-one.
What is the SMILES notation for 3-(benzylideneamino)-1-(4-bromophenyl)propan-1-one?
The canonical SMILES for 3-(benzylideneamino)-1-(4-bromophenyl)propan-1-one is O=C(CC/N=C/c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of 3-(benzylideneamino)-1-(4-bromophenyl)propan-1-one?
The InChIKey is CVUISXQPUNMBEW-LDADJPATSA-N. The full InChI is InChI=1S/C16H14BrNO/c17-15-8-6-14(7-9-15)16(19)10-11-18-12-13-4-2-1-3-5-13/h1-9,12H,10-11H2/b18-12+.
What are the key properties of 3-(benzylideneamino)-1-(4-bromophenyl)propan-1-one?
3-(benzylideneamino)-1-(4-bromophenyl)propan-1-one has a molecular weight of 316.20 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylideneamino)-1-(4-bromophenyl)propan-1-one is sourced from PubChem (CID 67666584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).