2-[(2-bromobenzoyl)amino]-N-[(E)-(4-fluorophenyl)methylideneamino]benzamide

C21H15BrFN3O2 — CID 5339184

IUPAC2-[(2-bromobenzoyl)amino]-N-[(E)-(4-fluorophenyl)methylideneamino]benzamide
SMILESO=C(Nc1ccccc1C(=O)N/N=C/c1ccc(F)cc1)c1ccccc1Br
InChIInChI=1S/C21H15BrFN3O2/c22-18-7-3-1-5-16(18)20(27)25-19-8-4-2-6-17(19)21(28)26-24-13-14-9-11-15(23)12-10-14/h1-13H,(H,25,27)(H,26,28)/b24-13+
InChIKeySTNZKWZLJQOCIW-ZMOGYAJESA-N
MW440.27 g/mol
LogP4.60
Rot. Bonds5

About 2-[(2-bromobenzoyl)amino]-N-[(E)-(4-fluorophenyl)methylideneamino]benzamide

2-[(2-bromobenzoyl)amino]-N-[(E)-(4-fluorophenyl)methylideneamino]benzamide (PubChem CID 5339184) has the molecular formula C21H15BrFN3O2 and a molecular weight of 440.27 g/mol. Its IUPAC name is 2-[(2-bromobenzoyl)amino]-N-[(E)-(4-fluorophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-[(2-bromobenzoyl)amino]-N-[(E)-(4-fluorophenyl)methylideneamino]benzamide
PubChem CID5339184
Molecular FormulaC21H15BrFN3O2
Molecular Weight440.27 g/mol
Exact Mass439.03
IUPAC Name2-[(2-bromobenzoyl)amino]-N-[(E)-(4-fluorophenyl)methylideneamino]benzamide
SMILESO=C(Nc1ccccc1C(=O)N/N=C/c1ccc(F)cc1)c1ccccc1Br
InChIInChI=1S/C21H15BrFN3O2/c22-18-7-3-1-5-16(18)20(27)25-19-8-4-2-6-17(19)21(28)26-24-13-14-9-11-15(23)12-10-14/h1-13H,(H,25,27)(H,26,28)/b24-13+
InChIKeySTNZKWZLJQOCIW-ZMOGYAJESA-N
XLogP4.60
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.27
LogP ≤ 54.60
H-Bond Donors ≤ 52
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'}

Analyze 2-[(2-bromobenzoyl)amino]-N-[(E)-(4-fluorophenyl)methylideneamino]benzamide 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 2-[(2-bromobenzoyl)amino]-N-[(E)-(4-fluorophenyl)methylideneamino]benzamide?
The IUPAC name of 2-[(2-bromobenzoyl)amino]-N-[(E)-(4-fluorophenyl)methylideneamino]benzamide (CID 5339184) is 2-[(2-bromobenzoyl)amino]-N-[(E)-(4-fluorophenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-[(2-bromobenzoyl)amino]-N-[(E)-(4-fluorophenyl)methylideneamino]benzamide?
The canonical SMILES for 2-[(2-bromobenzoyl)amino]-N-[(E)-(4-fluorophenyl)methylideneamino]benzamide is O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(F)cc1)c1ccccc1Br.
What is the InChIKey of 2-[(2-bromobenzoyl)amino]-N-[(E)-(4-fluorophenyl)methylideneamino]benzamide?
The InChIKey is STNZKWZLJQOCIW-ZMOGYAJESA-N. The full InChI is InChI=1S/C21H15BrFN3O2/c22-18-7-3-1-5-16(18)20(27)25-19-8-4-2-6-17(19)21(28)26-24-13-14-9-11-15(23)12-10-14/h1-13H,(H,25,27)(H,26,28)/b24-13+.
What are the key properties of 2-[(2-bromobenzoyl)amino]-N-[(E)-(4-fluorophenyl)methylideneamino]benzamide?
2-[(2-bromobenzoyl)amino]-N-[(E)-(4-fluorophenyl)methylideneamino]benzamide has a molecular weight of 440.27 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromobenzoyl)amino]-N-[(E)-(4-fluorophenyl)methylideneamino]benzamide is sourced from PubChem (CID 5339184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).