N-[(Z)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide

C28H22Br2N2O3 — CID 126191522

About N-[(Z)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide

N-[(Z)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide (PubChem CID 126191522) has the molecular formula C28H22Br2N2O3 and a molecular weight of 594.30 g/mol. Its IUPAC name is N-[(Z)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide.

Molecular Properties

• Compound Name: N-[(Z)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
• PubChem CID: 126191522
• Molecular Formula: C28H22Br2N2O3
• Molecular Weight: 594.30 g/mol
• Exact Mass: 592.00
• IUPAC Name: N-[(Z)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
• SMILES: O=C(N/N=C\c1ccc(OCc2ccc(Br)cc2Br)cc1)C(O)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C28H22Br2N2O3/c29-24-14-13-21(26(30)17-24)19-35-25-15-11-20(12-16-25)18-31-32-27(33)28(34,22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-18,34H,19H2,(H,32,33)/b31-18-
• InChIKey: VGQYMADZOLJTSN-MNBJERMJSA-N
• XLogP: 6.18
• TPSA: 70.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	594.30
LogP ≤ 5	6.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide?

The IUPAC name of N-[(Z)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide (CID 126191522) is N-[(Z)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide.

What is the SMILES notation for N-[(Z)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide?

The canonical SMILES for N-[(Z)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide is O=C(N/N=C\c1ccc(OCc2ccc(Br)cc2Br)cc1)C(O)(c1ccccc1)c1ccccc1.

What is the InChIKey of N-[(Z)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide?

The InChIKey is VGQYMADZOLJTSN-MNBJERMJSA-N. The full InChI is InChI=1S/C28H22Br2N2O3/c29-24-14-13-21(26(30)17-24)19-35-25-15-11-20(12-16-25)18-31-32-27(33)28(34,22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-18,34H,19H2,(H,32,33)/b31-18-.

What are the key properties of N-[(Z)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide?

N-[(Z)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide has a molecular weight of 594.30 g/mol, XLogP of 6.18, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(Z)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide is sourced from PubChem (CID 126191522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).