4-benzamido-N-[(E)-(5-bromofuran-2-yl)methylideneamino]benzamide

C19H14BrN3O3 — CID 171983837

IUPAC4-benzamido-N-[(E)-(5-bromofuran-2-yl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc(Br)o1)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C19H14BrN3O3/c20-17-11-10-16(26-17)12-21-23-19(25)14-6-8-15(9-7-14)22-18(24)13-4-2-1-3-5-13/h1-12H,(H,22,24)(H,23,25)/b21-12+
InChIKeyWLOVJBFJFSMDJI-CIAFOILYSA-N
MW412.24 g/mol
LogP4.06
Rot. Bonds5

About 4-benzamido-N-[(E)-(5-bromofuran-2-yl)methylideneamino]benzamide

4-benzamido-N-[(E)-(5-bromofuran-2-yl)methylideneamino]benzamide (PubChem CID 171983837) has the molecular formula C19H14BrN3O3 and a molecular weight of 412.24 g/mol. Its IUPAC name is 4-benzamido-N-[(E)-(5-bromofuran-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-benzamido-N-[(E)-(5-bromofuran-2-yl)methylideneamino]benzamide
PubChem CID171983837
Molecular FormulaC19H14BrN3O3
Molecular Weight412.24 g/mol
Exact Mass411.02
IUPAC Name4-benzamido-N-[(E)-(5-bromofuran-2-yl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc(Br)o1)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C19H14BrN3O3/c20-17-11-10-16(26-17)12-21-23-19(25)14-6-8-15(9-7-14)22-18(24)13-4-2-1-3-5-13/h1-12H,(H,22,24)(H,23,25)/b21-12+
InChIKeyWLOVJBFJFSMDJI-CIAFOILYSA-N
XLogP4.06
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.24
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

N-[(Z)-(5-bromofuran-2-yl)methylideneamino]benzamide
CID 5397633
1-N-[(E)-(5-bromofuran-2-yl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide
CID 44507546
N-[(E)-(5-bromofuran-2-yl)methylideneamino]-4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide
CID 88863853
N-(benzylideneamino)-4-[(4-fluorobenzoyl)amino]benzamide
CID 24789540
4-bromo-N-[(E)-[5-(1-hydroxy-2-oxo-2-phenylethyl)furan-2-yl]methylideneamino]benzamide
CID 11362345
4-benzamido-N-[(2-methylphenyl)methylideneamino]benzamide
CID 3285484
4-acetamido-N-[(5-methylfuran-2-yl)methylideneamino]benzamide
CID 771334
4-benzamido-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide
CID 135696885
N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 569827
N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]benzamide
CID 94845215
N-[(5-bromofuran-2-yl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3483868
4-acetamido-N-[(Z)-benzylideneamino]benzamide
CID 5397950

Frequently Asked Questions

What is the IUPAC name of 4-benzamido-N-[(E)-(5-bromofuran-2-yl)methylideneamino]benzamide?
The IUPAC name of 4-benzamido-N-[(E)-(5-bromofuran-2-yl)methylideneamino]benzamide (CID 171983837) is 4-benzamido-N-[(E)-(5-bromofuran-2-yl)methylideneamino]benzamide.
What is the SMILES notation for 4-benzamido-N-[(E)-(5-bromofuran-2-yl)methylideneamino]benzamide?
The canonical SMILES for 4-benzamido-N-[(E)-(5-bromofuran-2-yl)methylideneamino]benzamide is O=C(N/N=C/c1ccc(Br)o1)c1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of 4-benzamido-N-[(E)-(5-bromofuran-2-yl)methylideneamino]benzamide?
The InChIKey is WLOVJBFJFSMDJI-CIAFOILYSA-N. The full InChI is InChI=1S/C19H14BrN3O3/c20-17-11-10-16(26-17)12-21-23-19(25)14-6-8-15(9-7-14)22-18(24)13-4-2-1-3-5-13/h1-12H,(H,22,24)(H,23,25)/b21-12+.
What are the key properties of 4-benzamido-N-[(E)-(5-bromofuran-2-yl)methylideneamino]benzamide?
4-benzamido-N-[(E)-(5-bromofuran-2-yl)methylideneamino]benzamide has a molecular weight of 412.24 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzamido-N-[(E)-(5-bromofuran-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 171983837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).