5-bromo-N-[(E)-(3-bromophenyl)methylideneamino]-1-benzofuran-2-carboxamide

C16H10Br2N2O2 — CID 96838256

IUPAC5-bromo-N-[(E)-(3-bromophenyl)methylideneamino]-1-benzofuran-2-carboxamide
SMILESO=C(N/N=C/c1cccc(Br)c1)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C16H10Br2N2O2/c17-12-3-1-2-10(6-12)9-19-20-16(21)15-8-11-7-13(18)4-5-14(11)22-15/h1-9H,(H,20,21)/b19-9+
InChIKeyGSZLBPYKLPCAAA-DJKKODMXSA-N
MW422.08 g/mol
LogP4.72
Rot. Bonds3

About 5-bromo-N-[(E)-(3-bromophenyl)methylideneamino]-1-benzofuran-2-carboxamide

5-bromo-N-[(E)-(3-bromophenyl)methylideneamino]-1-benzofuran-2-carboxamide (PubChem CID 96838256) has the molecular formula C16H10Br2N2O2 and a molecular weight of 422.08 g/mol. Its IUPAC name is 5-bromo-N-[(E)-(3-bromophenyl)methylideneamino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(E)-(3-bromophenyl)methylideneamino]-1-benzofuran-2-carboxamide
PubChem CID96838256
Molecular FormulaC16H10Br2N2O2
Molecular Weight422.08 g/mol
Exact Mass419.91
IUPAC Name5-bromo-N-[(E)-(3-bromophenyl)methylideneamino]-1-benzofuran-2-carboxamide
SMILESO=C(N/N=C/c1cccc(Br)c1)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C16H10Br2N2O2/c17-12-3-1-2-10(6-12)9-19-20-16(21)15-8-11-7-13(18)4-5-14(11)22-15/h1-9H,(H,20,21)/b19-9+
InChIKeyGSZLBPYKLPCAAA-DJKKODMXSA-N
XLogP4.72
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.08
LogP ≤ 54.72
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

5-bromo-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 136765272
5-bromo-N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 96886374
5-bromo-N-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 137173741
5-bromo-N-[(E)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 137173960
5-bromo-N-[(E)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 126151566
4-amino-N-[(E)-(3-bromophenyl)methylideneamino]benzamide
CID 42995119
5-bromo-N-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 137162209
5-bromo-N-[(Z)-(2,4,6-trimethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 5433414
5-bromo-N-[(2-chloroquinolin-3-yl)methylideneamino]-1-benzofuran-2-carboxamide
CID 3518174
5-bromo-N-[(Z)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-1-benzofuran-2-carboxamide
CID 6160019
5-bromo-N-[(E)-[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]-1-benzofuran-2-carboxamide
CID 99885870
N-[(E)-benzylideneamino]-5-nitro-1-benzofuran-2-carboxamide
CID 121005396

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(E)-(3-bromophenyl)methylideneamino]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-bromo-N-[(E)-(3-bromophenyl)methylideneamino]-1-benzofuran-2-carboxamide (CID 96838256) is 5-bromo-N-[(E)-(3-bromophenyl)methylideneamino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(E)-(3-bromophenyl)methylideneamino]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(E)-(3-bromophenyl)methylideneamino]-1-benzofuran-2-carboxamide is O=C(N/N=C/c1cccc(Br)c1)c1cc2cc(Br)ccc2o1.
What is the InChIKey of 5-bromo-N-[(E)-(3-bromophenyl)methylideneamino]-1-benzofuran-2-carboxamide?
The InChIKey is GSZLBPYKLPCAAA-DJKKODMXSA-N. The full InChI is InChI=1S/C16H10Br2N2O2/c17-12-3-1-2-10(6-12)9-19-20-16(21)15-8-11-7-13(18)4-5-14(11)22-15/h1-9H,(H,20,21)/b19-9+.
What are the key properties of 5-bromo-N-[(E)-(3-bromophenyl)methylideneamino]-1-benzofuran-2-carboxamide?
5-bromo-N-[(E)-(3-bromophenyl)methylideneamino]-1-benzofuran-2-carboxamide has a molecular weight of 422.08 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(E)-(3-bromophenyl)methylideneamino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 96838256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).