4-bromo-N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]benzamide

C15H11BrF2N2O2 — CID 6904574

IUPAC4-bromo-N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc(OC(F)F)cc1)c1ccc(Br)cc1
InChIInChI=1S/C15H11BrF2N2O2/c16-12-5-3-11(4-6-12)14(21)20-19-9-10-1-7-13(8-2-10)22-15(17)18/h1-9,15H,(H,20,21)/b19-9+
InChIKeyFWVMGSKQRKXDIW-DJKKODMXSA-N
MW369.17 g/mol
LogP3.81
Rot. Bonds5

About 4-bromo-N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]benzamide

4-bromo-N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]benzamide (PubChem CID 6904574) has the molecular formula C15H11BrF2N2O2 and a molecular weight of 369.17 g/mol. Its IUPAC name is 4-bromo-N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name4-bromo-N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]benzamide
PubChem CID6904574
Molecular FormulaC15H11BrF2N2O2
Molecular Weight369.17 g/mol
Exact Mass368.00
IUPAC Name4-bromo-N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc(OC(F)F)cc1)c1ccc(Br)cc1
InChIInChI=1S/C15H11BrF2N2O2/c16-12-5-3-11(4-6-12)14(21)20-19-9-10-1-7-13(8-2-10)22-15(17)18/h1-9,15H,(H,20,21)/b19-9+
InChIKeyFWVMGSKQRKXDIW-DJKKODMXSA-N
XLogP3.81
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.17
LogP ≤ 53.81
H-Bond Donors ≤ 51
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-bromo-N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]benzamide?
The IUPAC name of 4-bromo-N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]benzamide (CID 6904574) is 4-bromo-N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]benzamide.
What is the SMILES notation for 4-bromo-N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]benzamide?
The canonical SMILES for 4-bromo-N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]benzamide is O=C(N/N=C/c1ccc(OC(F)F)cc1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]benzamide?
The InChIKey is FWVMGSKQRKXDIW-DJKKODMXSA-N. The full InChI is InChI=1S/C15H11BrF2N2O2/c16-12-5-3-11(4-6-12)14(21)20-19-9-10-1-7-13(8-2-10)22-15(17)18/h1-9,15H,(H,20,21)/b19-9+.
What are the key properties of 4-bromo-N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]benzamide?
4-bromo-N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]benzamide has a molecular weight of 369.17 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]benzamide is sourced from PubChem (CID 6904574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).