N-[(E)-benzylideneamino]benzo[e][1]benzofuran-2-carboxamide

C20H14N2O2 — CID 11995312

IUPACN-[(E)-benzylideneamino]benzo[e][1]benzofuran-2-carboxamide
SMILESO=C(N/N=C/c1ccccc1)c1cc2c(ccc3ccccc32)o1
InChIInChI=1S/C20H14N2O2/c23-20(22-21-13-14-6-2-1-3-7-14)19-12-17-16-9-5-4-8-15(16)10-11-18(17)24-19/h1-13H,(H,22,23)/b21-13+
InChIKeyBCTHKTSDBOZSRZ-FYJGNVAPSA-N
MW314.34 g/mol
LogP4.35
Rot. Bonds3

About N-[(E)-benzylideneamino]benzo[e][1]benzofuran-2-carboxamide

N-[(E)-benzylideneamino]benzo[e][1]benzofuran-2-carboxamide (PubChem CID 11995312) has the molecular formula C20H14N2O2 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]benzo[e][1]benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]benzo[e][1]benzofuran-2-carboxamide
PubChem CID11995312
Molecular FormulaC20H14N2O2
Molecular Weight314.34 g/mol
Exact Mass314.11
IUPAC NameN-[(E)-benzylideneamino]benzo[e][1]benzofuran-2-carboxamide
SMILESO=C(N/N=C/c1ccccc1)c1cc2c(ccc3ccccc32)o1
InChIInChI=1S/C20H14N2O2/c23-20(22-21-13-14-6-2-1-3-7-14)19-12-17-16-9-5-4-8-15(16)10-11-18(17)24-19/h1-13H,(H,22,23)/b21-13+
InChIKeyBCTHKTSDBOZSRZ-FYJGNVAPSA-N
XLogP4.35
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 54.35
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)-(4-methylsulfanylphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
CID 6876331
methyl 4-[(E)-(benzo[e][1]benzofuran-2-carbonylhydrazinylidene)methyl]benzoate
CID 73254287
copper N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzo[e][1]benzofuran-2-carboxamide
CID 86575254
N-[(E)-(3-bromo-4-methylphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
CID 6876424
N-[(3-bromo-4-methylphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
CID 1003012
2-[5-[(benzo[e][1]benzofuran-2-carbonylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 1231185
N-[(Z)-(2-methoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
CID 5411631
N-[(E)-(3,5-dichloro-4-prop-2-ynoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
CID 6876463
N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
CID 1027402
N-[(3-bromo-4-hydroxy-5-nitrophenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
CID 136665645
N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
CID 91970189
3-[5-[(benzo[e][1]benzofuran-2-carbonylhydrazinylidene)methyl]furan-2-yl]-4-methylbenzoic acid
CID 91970185

Frequently Asked Questions

What is the IUPAC name of N-[(E)-benzylideneamino]benzo[e][1]benzofuran-2-carboxamide?
The IUPAC name of N-[(E)-benzylideneamino]benzo[e][1]benzofuran-2-carboxamide (CID 11995312) is N-[(E)-benzylideneamino]benzo[e][1]benzofuran-2-carboxamide.
What is the SMILES notation for N-[(E)-benzylideneamino]benzo[e][1]benzofuran-2-carboxamide?
The canonical SMILES for N-[(E)-benzylideneamino]benzo[e][1]benzofuran-2-carboxamide is O=C(N/N=C/c1ccccc1)c1cc2c(ccc3ccccc32)o1.
What is the InChIKey of N-[(E)-benzylideneamino]benzo[e][1]benzofuran-2-carboxamide?
The InChIKey is BCTHKTSDBOZSRZ-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H14N2O2/c23-20(22-21-13-14-6-2-1-3-7-14)19-12-17-16-9-5-4-8-15(16)10-11-18(17)24-19/h1-13H,(H,22,23)/b21-13+.
What are the key properties of N-[(E)-benzylideneamino]benzo[e][1]benzofuran-2-carboxamide?
N-[(E)-benzylideneamino]benzo[e][1]benzofuran-2-carboxamide has a molecular weight of 314.34 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-benzylideneamino]benzo[e][1]benzofuran-2-carboxamide is sourced from PubChem (CID 11995312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).