1-(3-bromophenyl)-N-phenylmethanimine oxide

C13H10BrNO — CID 699586

IUPAC1-(3-bromophenyl)-N-phenylmethanimine oxide
SMILES[O-]/[N+](=C\c1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C13H10BrNO/c14-12-6-4-5-11(9-12)10-15(16)13-7-2-1-3-8-13/h1-10H/b15-10-
InChIKeyDCKNVCGEVCOCIN-GDNBJRDFSA-N
MW276.13 g/mol
LogP3.71
Rot. Bonds2

About 1-(3-bromophenyl)-N-phenylmethanimine oxide

1-(3-bromophenyl)-N-phenylmethanimine oxide (PubChem CID 699586) has the molecular formula C13H10BrNO and a molecular weight of 276.13 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-phenylmethanimine oxide.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-phenylmethanimine oxide
PubChem CID699586
Molecular FormulaC13H10BrNO
Molecular Weight276.13 g/mol
Exact Mass274.99
IUPAC Name1-(3-bromophenyl)-N-phenylmethanimine oxide
SMILES[O-]/[N+](=C\c1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C13H10BrNO/c14-12-6-4-5-11(9-12)10-15(16)13-7-2-1-3-8-13/h1-10H/b15-10-
InChIKeyDCKNVCGEVCOCIN-GDNBJRDFSA-N
XLogP3.71
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.13
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-(3-bromophenyl)-N-phenylmethanimine oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-phenylmethanimine oxide?
The IUPAC name of 1-(3-bromophenyl)-N-phenylmethanimine oxide (CID 699586) is 1-(3-bromophenyl)-N-phenylmethanimine oxide.
What is the SMILES notation for 1-(3-bromophenyl)-N-phenylmethanimine oxide?
The canonical SMILES for 1-(3-bromophenyl)-N-phenylmethanimine oxide is [O-]/[N+](=C\c1cccc(Br)c1)c1ccccc1.
What is the InChIKey of 1-(3-bromophenyl)-N-phenylmethanimine oxide?
The InChIKey is DCKNVCGEVCOCIN-GDNBJRDFSA-N. The full InChI is InChI=1S/C13H10BrNO/c14-12-6-4-5-11(9-12)10-15(16)13-7-2-1-3-8-13/h1-10H/b15-10-.
What are the key properties of 1-(3-bromophenyl)-N-phenylmethanimine oxide?
1-(3-bromophenyl)-N-phenylmethanimine oxide has a molecular weight of 276.13 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-phenylmethanimine oxide is sourced from PubChem (CID 699586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).