4-benzamido-N-[(E)-(4-bromophenyl)methylideneamino]benzamide

C21H16BrN3O2 — CID 6887044

IUPAC4-benzamido-N-[(E)-(4-bromophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc(Br)cc1)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C21H16BrN3O2/c22-18-10-6-15(7-11-18)14-23-25-21(27)17-8-12-19(13-9-17)24-20(26)16-4-2-1-3-5-16/h1-14H,(H,24,26)(H,25,27)/b23-14+
InChIKeyCCSTUXCVCMNMNG-OEAKJJBVSA-N
MW422.28 g/mol
LogP4.47
Rot. Bonds5

About 4-benzamido-N-[(E)-(4-bromophenyl)methylideneamino]benzamide

4-benzamido-N-[(E)-(4-bromophenyl)methylideneamino]benzamide (PubChem CID 6887044) has the molecular formula C21H16BrN3O2 and a molecular weight of 422.28 g/mol. Its IUPAC name is 4-benzamido-N-[(E)-(4-bromophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-benzamido-N-[(E)-(4-bromophenyl)methylideneamino]benzamide
PubChem CID6887044
Molecular FormulaC21H16BrN3O2
Molecular Weight422.28 g/mol
Exact Mass421.04
IUPAC Name4-benzamido-N-[(E)-(4-bromophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc(Br)cc1)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C21H16BrN3O2/c22-18-10-6-15(7-11-18)14-23-25-21(27)17-8-12-19(13-9-17)24-20(26)16-4-2-1-3-5-16/h1-14H,(H,24,26)(H,25,27)/b23-14+
InChIKeyCCSTUXCVCMNMNG-OEAKJJBVSA-N
XLogP4.47
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.28
LogP ≤ 54.47
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-benzamido-N-[(E)-(4-bromophenyl)methylideneamino]benzamide?
The IUPAC name of 4-benzamido-N-[(E)-(4-bromophenyl)methylideneamino]benzamide (CID 6887044) is 4-benzamido-N-[(E)-(4-bromophenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-benzamido-N-[(E)-(4-bromophenyl)methylideneamino]benzamide?
The canonical SMILES for 4-benzamido-N-[(E)-(4-bromophenyl)methylideneamino]benzamide is O=C(N/N=C/c1ccc(Br)cc1)c1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of 4-benzamido-N-[(E)-(4-bromophenyl)methylideneamino]benzamide?
The InChIKey is CCSTUXCVCMNMNG-OEAKJJBVSA-N. The full InChI is InChI=1S/C21H16BrN3O2/c22-18-10-6-15(7-11-18)14-23-25-21(27)17-8-12-19(13-9-17)24-20(26)16-4-2-1-3-5-16/h1-14H,(H,24,26)(H,25,27)/b23-14+.
What are the key properties of 4-benzamido-N-[(E)-(4-bromophenyl)methylideneamino]benzamide?
4-benzamido-N-[(E)-(4-bromophenyl)methylideneamino]benzamide has a molecular weight of 422.28 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzamido-N-[(E)-(4-bromophenyl)methylideneamino]benzamide is sourced from PubChem (CID 6887044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).