copper N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzo[e][1]benzofuran-2-carboxamide

C22H16CuN2O2+2 — CID 86575254

IUPACcopper N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzo[e][1]benzofuran-2-carboxamide
SMILESO=C(N/N=C/C=C/c1ccccc1)c1cc2c(ccc3ccccc32)o1.[Cu+2]
InChIInChI=1S/C22H16N2O2.Cu/c25-22(24-23-14-6-9-16-7-2-1-3-8-16)21-15-19-18-11-5-4-10-17(18)12-13-20(19)26-21;/h1-15H,(H,24,25);/q;+2/b9-6+,23-14+;
InChIKeyKNBCVKMSFGNVLD-RZSXACAVSA-N
MW403.93 g/mol
LogP5.01
Rot. Bonds4

About copper N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzo[e][1]benzofuran-2-carboxamide

copper N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzo[e][1]benzofuran-2-carboxamide (PubChem CID 86575254) has the molecular formula C22H16CuN2O2+2 and a molecular weight of 403.93 g/mol. Its IUPAC name is copper N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzo[e][1]benzofuran-2-carboxamide.

Molecular Properties

Compound Namecopper N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzo[e][1]benzofuran-2-carboxamide
PubChem CID86575254
Molecular FormulaC22H16CuN2O2+2
Molecular Weight403.93 g/mol
Exact Mass403.05
IUPAC Namecopper N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzo[e][1]benzofuran-2-carboxamide
SMILESO=C(N/N=C/C=C/c1ccccc1)c1cc2c(ccc3ccccc32)o1.[Cu+2]
InChIInChI=1S/C22H16N2O2.Cu/c25-22(24-23-14-6-9-16-7-2-1-3-8-16)21-15-19-18-11-5-4-10-17(18)12-13-20(19)26-21;/h1-15H,(H,24,25);/q;+2/b9-6+,23-14+;
InChIKeyKNBCVKMSFGNVLD-RZSXACAVSA-N
XLogP5.01
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.93
LogP ≤ 55.01
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-[(E)-benzylideneamino]benzo[e][1]benzofuran-2-carboxamide
CID 11995312
N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1-benzofuran-2-carboxamide
CID 96889885
N-[(E)-(4-methylsulfanylphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
CID 6876331
N-[(E)-(3-bromo-4-methylphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
CID 6876424
methyl 4-[(E)-(benzo[e][1]benzofuran-2-carbonylhydrazinylidene)methyl]benzoate
CID 73254287
N-[(3-bromo-4-methylphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
CID 1003012
N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
CID 1027402
N-[(Z)-(2-methoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
CID 5411631
N-[(E)-[(Z)-3-phenylprop-2-enylidene]amino]furan-2-carboxamide
CID 92534270
2-[5-[(benzo[e][1]benzofuran-2-carbonylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 1231185
N-[(E)-(3,5-dichloro-4-prop-2-ynoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
CID 6876463
N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
CID 91970189

Frequently Asked Questions

What is the IUPAC name of copper N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzo[e][1]benzofuran-2-carboxamide?
The IUPAC name of copper N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzo[e][1]benzofuran-2-carboxamide (CID 86575254) is copper N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzo[e][1]benzofuran-2-carboxamide.
What is the SMILES notation for copper N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzo[e][1]benzofuran-2-carboxamide?
The canonical SMILES for copper N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzo[e][1]benzofuran-2-carboxamide is O=C(N/N=C/C=C/c1ccccc1)c1cc2c(ccc3ccccc32)o1.[Cu+2].
What is the InChIKey of copper N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzo[e][1]benzofuran-2-carboxamide?
The InChIKey is KNBCVKMSFGNVLD-RZSXACAVSA-N. The full InChI is InChI=1S/C22H16N2O2.Cu/c25-22(24-23-14-6-9-16-7-2-1-3-8-16)21-15-19-18-11-5-4-10-17(18)12-13-20(19)26-21;/h1-15H,(H,24,25);/q;+2/b9-6+,23-14+;.
What are the key properties of copper N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzo[e][1]benzofuran-2-carboxamide?
copper N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzo[e][1]benzofuran-2-carboxamide has a molecular weight of 403.93 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for copper N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzo[e][1]benzofuran-2-carboxamide is sourced from PubChem (CID 86575254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).