(4-bromophenyl)-[2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]methanone

C16H14BrNO2 — CID 71497869

IUPAC(4-bromophenyl)-[2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]methanone
SMILESCO/N=C(\C)c1ccccc1C(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H14BrNO2/c1-11(18-20-2)14-5-3-4-6-15(14)16(19)12-7-9-13(17)10-8-12/h3-10H,1-2H3/b18-11+
InChIKeyUUHYDWGMTQULPY-WOJGMQOQSA-N
MW332.20 g/mol
LogP4.05
Rot. Bonds4

About (4-bromophenyl)-[2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]methanone

(4-bromophenyl)-[2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]methanone (PubChem CID 71497869) has the molecular formula C16H14BrNO2 and a molecular weight of 332.20 g/mol. Its IUPAC name is (4-bromophenyl)-[2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]methanone.

Molecular Properties

Compound Name(4-bromophenyl)-[2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]methanone
PubChem CID71497869
Molecular FormulaC16H14BrNO2
Molecular Weight332.20 g/mol
Exact Mass331.02
IUPAC Name(4-bromophenyl)-[2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]methanone
SMILESCO/N=C(\C)c1ccccc1C(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H14BrNO2/c1-11(18-20-2)14-5-3-4-6-15(14)16(19)12-7-9-13(17)10-8-12/h3-10H,1-2H3/b18-11+
InChIKeyUUHYDWGMTQULPY-WOJGMQOQSA-N
XLogP4.05
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-[2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]methanone?
The IUPAC name of (4-bromophenyl)-[2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]methanone (CID 71497869) is (4-bromophenyl)-[2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]methanone.
What is the SMILES notation for (4-bromophenyl)-[2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]methanone?
The canonical SMILES for (4-bromophenyl)-[2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]methanone is CO/N=C(\C)c1ccccc1C(=O)c1ccc(Br)cc1.
What is the InChIKey of (4-bromophenyl)-[2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]methanone?
The InChIKey is UUHYDWGMTQULPY-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H14BrNO2/c1-11(18-20-2)14-5-3-4-6-15(14)16(19)12-7-9-13(17)10-8-12/h3-10H,1-2H3/b18-11+.
What are the key properties of (4-bromophenyl)-[2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]methanone?
(4-bromophenyl)-[2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]methanone has a molecular weight of 332.20 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-[2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]methanone is sourced from PubChem (CID 71497869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).