1-(4-bromophenyl)-2,2-dichloro-N-phenylpropan-1-imine

C15H12BrCl2N — CID 12532924

IUPAC1-(4-bromophenyl)-2,2-dichloro-N-phenylpropan-1-imine
SMILESCC(Cl)(Cl)/C(=N\c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C15H12BrCl2N/c1-15(17,18)14(11-7-9-12(16)10-8-11)19-13-5-3-2-4-6-13/h2-10H,1H3/b19-14-
InChIKeyYRTGQEIJCXGPCB-RGEXLXHISA-N
MW357.08 g/mol
LogP5.76
Rot. Bonds3

About 1-(4-bromophenyl)-2,2-dichloro-N-phenylpropan-1-imine

1-(4-bromophenyl)-2,2-dichloro-N-phenylpropan-1-imine (PubChem CID 12532924) has the molecular formula C15H12BrCl2N and a molecular weight of 357.08 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2,2-dichloro-N-phenylpropan-1-imine.

Molecular Properties

Compound Name1-(4-bromophenyl)-2,2-dichloro-N-phenylpropan-1-imine
PubChem CID12532924
Molecular FormulaC15H12BrCl2N
Molecular Weight357.08 g/mol
Exact Mass354.95
IUPAC Name1-(4-bromophenyl)-2,2-dichloro-N-phenylpropan-1-imine
SMILESCC(Cl)(Cl)/C(=N\c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C15H12BrCl2N/c1-15(17,18)14(11-7-9-12(16)10-8-11)19-13-5-3-2-4-6-13/h2-10H,1H3/b19-14-
InChIKeyYRTGQEIJCXGPCB-RGEXLXHISA-N
XLogP5.76
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.08
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2,2-dichloro-N-phenylpropan-1-imine?
The IUPAC name of 1-(4-bromophenyl)-2,2-dichloro-N-phenylpropan-1-imine (CID 12532924) is 1-(4-bromophenyl)-2,2-dichloro-N-phenylpropan-1-imine.
What is the SMILES notation for 1-(4-bromophenyl)-2,2-dichloro-N-phenylpropan-1-imine?
The canonical SMILES for 1-(4-bromophenyl)-2,2-dichloro-N-phenylpropan-1-imine is CC(Cl)(Cl)/C(=N\c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2,2-dichloro-N-phenylpropan-1-imine?
The InChIKey is YRTGQEIJCXGPCB-RGEXLXHISA-N. The full InChI is InChI=1S/C15H12BrCl2N/c1-15(17,18)14(11-7-9-12(16)10-8-11)19-13-5-3-2-4-6-13/h2-10H,1H3/b19-14-.
What are the key properties of 1-(4-bromophenyl)-2,2-dichloro-N-phenylpropan-1-imine?
1-(4-bromophenyl)-2,2-dichloro-N-phenylpropan-1-imine has a molecular weight of 357.08 g/mol, XLogP of 5.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2,2-dichloro-N-phenylpropan-1-imine is sourced from PubChem (CID 12532924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).