2-bromo-N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]benzamide

C18H12Br2N2O2 — CID 41300906

IUPAC2-bromo-N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccc(-c2ccc(Br)cc2)o1)c1ccccc1Br
InChIInChI=1S/C18H12Br2N2O2/c19-13-7-5-12(6-8-13)17-10-9-14(24-17)11-21-22-18(23)15-3-1-2-4-16(15)20/h1-11H,(H,22,23)/b21-11-
InChIKeySJLOYCHIABVTPW-NHDPSOOVSA-N
MW448.11 g/mol
LogP5.24
Rot. Bonds4

About 2-bromo-N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]benzamide

2-bromo-N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]benzamide (PubChem CID 41300906) has the molecular formula C18H12Br2N2O2 and a molecular weight of 448.11 g/mol. Its IUPAC name is 2-bromo-N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]benzamide
PubChem CID41300906
Molecular FormulaC18H12Br2N2O2
Molecular Weight448.11 g/mol
Exact Mass445.93
IUPAC Name2-bromo-N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccc(-c2ccc(Br)cc2)o1)c1ccccc1Br
InChIInChI=1S/C18H12Br2N2O2/c19-13-7-5-12(6-8-13)17-10-9-14(24-17)11-21-22-18(23)15-3-1-2-4-16(15)20/h1-11H,(H,22,23)/b21-11-
InChIKeySJLOYCHIABVTPW-NHDPSOOVSA-N
XLogP5.24
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.11
LogP ≤ 55.24
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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Related Compounds

N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 8518877
methyl 3-[5-[(E)-[(2-bromobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoate
CID 17245292
2-bromo-N-[(E)-[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 17245307
2-bromo-N-[(Z)-[5-(2,4,5-trichlorophenyl)furan-2-yl]methylideneamino]benzamide
CID 41339727
2-bromo-N-[(E)-(5-ethylfuran-2-yl)methylideneamino]benzamide
CID 17245391
N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-hydroxy-4-methoxybenzamide
CID 126398281
4-[5-[(E)-[(5-bromo-2-hydroxybenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 96892435
2-(4-bromonaphthalen-1-yl)-N-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]acetamide
CID 3879614
N-[(E)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide
CID 19657477
N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2-methoxybenzamide
CID 3439847
1-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-(2-methylphenyl)urea
CID 4222897
N-[(E)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-(2-methylphenyl)quinoline-4-carboxamide
CID 6873636

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]benzamide?
The IUPAC name of 2-bromo-N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]benzamide (CID 41300906) is 2-bromo-N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]benzamide.
What is the SMILES notation for 2-bromo-N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]benzamide?
The canonical SMILES for 2-bromo-N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]benzamide is O=C(N/N=C\c1ccc(-c2ccc(Br)cc2)o1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]benzamide?
The InChIKey is SJLOYCHIABVTPW-NHDPSOOVSA-N. The full InChI is InChI=1S/C18H12Br2N2O2/c19-13-7-5-12(6-8-13)17-10-9-14(24-17)11-21-22-18(23)15-3-1-2-4-16(15)20/h1-11H,(H,22,23)/b21-11-.
What are the key properties of 2-bromo-N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]benzamide?
2-bromo-N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]benzamide has a molecular weight of 448.11 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]benzamide is sourced from PubChem (CID 41300906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).