4-bromo-N-[(E)-[5-(1-hydroxy-2-oxo-2-phenylethyl)furan-2-yl]methylideneamino]benzamide

C20H15BrN2O4 — CID 11362345

IUPAC4-bromo-N-[(E)-[5-(1-hydroxy-2-oxo-2-phenylethyl)furan-2-yl]methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc(C(O)C(=O)c2ccccc2)o1)c1ccc(Br)cc1
InChIInChI=1S/C20H15BrN2O4/c21-15-8-6-14(7-9-15)20(26)23-22-12-16-10-11-17(27-16)19(25)18(24)13-4-2-1-3-5-13/h1-12,19,25H,(H,23,26)/b22-12+
InChIKeyWRNACLZGPNRTLE-WSDLNYQXSA-N
MW427.25 g/mol
LogP3.72
Rot. Bonds6

About 4-bromo-N-[(E)-[5-(1-hydroxy-2-oxo-2-phenylethyl)furan-2-yl]methylideneamino]benzamide

4-bromo-N-[(E)-[5-(1-hydroxy-2-oxo-2-phenylethyl)furan-2-yl]methylideneamino]benzamide (PubChem CID 11362345) has the molecular formula C20H15BrN2O4 and a molecular weight of 427.25 g/mol. Its IUPAC name is 4-bromo-N-[(E)-[5-(1-hydroxy-2-oxo-2-phenylethyl)furan-2-yl]methylideneamino]benzamide.

Molecular Properties

Compound Name4-bromo-N-[(E)-[5-(1-hydroxy-2-oxo-2-phenylethyl)furan-2-yl]methylideneamino]benzamide
PubChem CID11362345
Molecular FormulaC20H15BrN2O4
Molecular Weight427.25 g/mol
Exact Mass426.02
IUPAC Name4-bromo-N-[(E)-[5-(1-hydroxy-2-oxo-2-phenylethyl)furan-2-yl]methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc(C(O)C(=O)c2ccccc2)o1)c1ccc(Br)cc1
InChIInChI=1S/C20H15BrN2O4/c21-15-8-6-14(7-9-15)20(26)23-22-12-16-10-11-17(27-16)19(25)18(24)13-4-2-1-3-5-13/h1-12,19,25H,(H,23,26)/b22-12+
InChIKeyWRNACLZGPNRTLE-WSDLNYQXSA-N
XLogP3.72
TPSA91.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.25
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-bromo-N-[(E)-[5-(1-hydroxy-2-oxo-2-phenylethyl)furan-2-yl]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

Related Compounds

N-[(Z)-(5-bromofuran-2-yl)methylideneamino]benzamide
CID 5397633
4-benzamido-N-[(E)-(5-bromofuran-2-yl)methylideneamino]benzamide
CID 171983837
4-bromo-N-[(4-bromophenyl)methylideneamino]benzamide
CID 603280
4-bromo-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide
CID 5404678
4-bromo-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]benzamide
CID 2246358
N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]benzamide
CID 94845215
N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 569827
sodium 5-[(benzoylhydrazinylidene)methyl]furan-2-sulfonate
CID 171151438
4-bromo-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide
CID 40822435
4-bromo-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide
CID 3603946
4-[5-[[(4-bromobenzoyl)hydrazinylidene]methyl]furan-2-yl]-2-chlorobenzoic acid
CID 4060449
2-[5-[(benzoylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 50883717

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(E)-[5-(1-hydroxy-2-oxo-2-phenylethyl)furan-2-yl]methylideneamino]benzamide?
The IUPAC name of 4-bromo-N-[(E)-[5-(1-hydroxy-2-oxo-2-phenylethyl)furan-2-yl]methylideneamino]benzamide (CID 11362345) is 4-bromo-N-[(E)-[5-(1-hydroxy-2-oxo-2-phenylethyl)furan-2-yl]methylideneamino]benzamide.
What is the SMILES notation for 4-bromo-N-[(E)-[5-(1-hydroxy-2-oxo-2-phenylethyl)furan-2-yl]methylideneamino]benzamide?
The canonical SMILES for 4-bromo-N-[(E)-[5-(1-hydroxy-2-oxo-2-phenylethyl)furan-2-yl]methylideneamino]benzamide is O=C(N/N=C/c1ccc(C(O)C(=O)c2ccccc2)o1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[(E)-[5-(1-hydroxy-2-oxo-2-phenylethyl)furan-2-yl]methylideneamino]benzamide?
The InChIKey is WRNACLZGPNRTLE-WSDLNYQXSA-N. The full InChI is InChI=1S/C20H15BrN2O4/c21-15-8-6-14(7-9-15)20(26)23-22-12-16-10-11-17(27-16)19(25)18(24)13-4-2-1-3-5-13/h1-12,19,25H,(H,23,26)/b22-12+.
What are the key properties of 4-bromo-N-[(E)-[5-(1-hydroxy-2-oxo-2-phenylethyl)furan-2-yl]methylideneamino]benzamide?
4-bromo-N-[(E)-[5-(1-hydroxy-2-oxo-2-phenylethyl)furan-2-yl]methylideneamino]benzamide has a molecular weight of 427.25 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(E)-[5-(1-hydroxy-2-oxo-2-phenylethyl)furan-2-yl]methylideneamino]benzamide is sourced from PubChem (CID 11362345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).