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

C17H12Br2N2O3 — CID 96886374

IUPAC5-bromo-N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
SMILESCOc1ccc(Br)cc1/C=N/NC(=O)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C17H12Br2N2O3/c1-23-14-4-2-13(19)7-11(14)9-20-21-17(22)16-8-10-6-12(18)3-5-15(10)24-16/h2-9H,1H3,(H,21,22)/b20-9+
InChIKeyCMDYFWVZBVNORS-AWQFTUOYSA-N
MW452.10 g/mol
LogP4.73
Rot. Bonds4

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

5-bromo-N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide (PubChem CID 96886374) has the molecular formula C17H12Br2N2O3 and a molecular weight of 452.10 g/mol. Its IUPAC name is 5-bromo-N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
PubChem CID96886374
Molecular FormulaC17H12Br2N2O3
Molecular Weight452.10 g/mol
Exact Mass449.92
IUPAC Name5-bromo-N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
SMILESCOc1ccc(Br)cc1/C=N/NC(=O)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C17H12Br2N2O3/c1-23-14-4-2-13(19)7-11(14)9-20-21-17(22)16-8-10-6-12(18)3-5-15(10)24-16/h2-9H,1H3,(H,21,22)/b20-9+
InChIKeyCMDYFWVZBVNORS-AWQFTUOYSA-N
XLogP4.73
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.10
LogP ≤ 54.73
H-Bond Donors ≤ 51
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

5,7-dibromo-N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 21376071
5-bromo-N-[(Z)-(2,4,6-trimethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 5433414
methyl 2-[2-[(1-benzofuran-2-carbonylhydrazinylidene)methyl]-4-bromophenoxy]acetate
CID 3744871
methyl 2-[2-[(Z)-[(5-bromo-1-benzofuran-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetate
CID 5433413
5-bromo-N-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 137173741
N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 6873936
2-[4-bromo-2-[(E)-[(5-ethoxy-1-benzofuran-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 126193553
5-bromo-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 136765272
5-bromo-N-[(Z)-(6-ethoxy-1,3-benzodioxol-5-yl)methylideneamino]-1-benzofuran-2-carboxamide
CID 126107454
5-bromo-N-[(Z)-[1-(4-methoxyphenyl)-5-methylpyrrol-2-yl]methylideneamino]-1-benzofuran-2-carboxamide
CID 50856969
5,7-dibromo-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 21376244
5-bromo-N-[(E)-(3-bromophenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 96838256

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-bromo-N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide (CID 96886374) is 5-bromo-N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide is COc1ccc(Br)cc1/C=N/NC(=O)c1cc2cc(Br)ccc2o1.
What is the InChIKey of 5-bromo-N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide?
The InChIKey is CMDYFWVZBVNORS-AWQFTUOYSA-N. The full InChI is InChI=1S/C17H12Br2N2O3/c1-23-14-4-2-13(19)7-11(14)9-20-21-17(22)16-8-10-6-12(18)3-5-15(10)24-16/h2-9H,1H3,(H,21,22)/b20-9+.
What are the key properties of 5-bromo-N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide?
5-bromo-N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide has a molecular weight of 452.10 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 96886374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).