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

C22H16N2O2 — CID 6876234

IUPACN-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzo[e][1]benzofuran-2-carboxamide
SMILESO=C(N/N=C/C=C/c1ccccc1)c1cc2c(ccc3ccccc32)o1
InChIInChI=1S/C22H16N2O2/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)/b9-6+,23-14+
InChIKeyBYOYASAICAHUNR-SKRBABGKSA-N
MW340.38 g/mol
LogP5.01
Rot. Bonds4

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

N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzo[e][1]benzofuran-2-carboxamide (PubChem CID 6876234) has the molecular formula C22H16N2O2 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzo[e][1]benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzo[e][1]benzofuran-2-carboxamide
PubChem CID6876234
Molecular FormulaC22H16N2O2
Molecular Weight340.38 g/mol
Exact Mass340.12
IUPAC NameN-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzo[e][1]benzofuran-2-carboxamide
SMILESO=C(N/N=C/C=C/c1ccccc1)c1cc2c(ccc3ccccc32)o1
InChIInChI=1S/C22H16N2O2/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)/b9-6+,23-14+
InChIKeyBYOYASAICAHUNR-SKRBABGKSA-N
XLogP5.01
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.38
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'-(3-bromo-4-hydroxybenzylidene)naphtho[2,1-b]furan-2-carbohydrazide
CID 135494677
N'-(1-naphthylmethylene)-1-benzofuran-2-carbohydrazide
CID 6873935
N'-(2,4-dimethoxybenzylidene)naphtho[2,1-b]furan-2-carbohydrazide
CID 6876216
3-methyl-N-morpholin-4-ylbenzo[g][1]benzofuran-2-carboxamide
CID 2492562
N'-(2-fluorobenzylidene)naphtho[2,1-b]furan-2-carbohydrazide
CID 6876336
5-[(2,3-dihydro-1H-inden-5-yloxy)methyl]-N'-(2-naphthylmethylene)-2-furohydrazide
CID 6874804
N'-{3-nitro-4-methylbenzylidene}naphtho[2,1-b]furan-2-carbohydrazide
CID 6876329
N'-[(4-oxo-4H-chromen-3-yl)methylene]-1-benzofuran-2-carbohydrazide
CID 9557333
N'-{3-nitrobenzylidene}naphtho[2,1-b]furan-2-carbohydrazide
CID 9564854
N'-(3,5-dibromo-4-hydroxybenzylidene)naphtho[2,1-b]furan-2-carbohydrazide
CID 135648080
Naphtho[2,1-b]furan-2-carbohydrazide
CID 2764524
N'-(3,4-dimethoxybenzylidene)naphtho[2,1-b]furan-2-carbohydrazide
CID 6876214

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzo[e][1]benzofuran-2-carboxamide?
The IUPAC name of N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzo[e][1]benzofuran-2-carboxamide (CID 6876234) is N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzo[e][1]benzofuran-2-carboxamide.
What is the SMILES notation for N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzo[e][1]benzofuran-2-carboxamide?
The canonical SMILES for 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.
What is the InChIKey of N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzo[e][1]benzofuran-2-carboxamide?
The InChIKey is BYOYASAICAHUNR-SKRBABGKSA-N. The full InChI is InChI=1S/C22H16N2O2/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)/b9-6+,23-14+.
What are the key properties of N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzo[e][1]benzofuran-2-carboxamide?
N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzo[e][1]benzofuran-2-carboxamide has a molecular weight of 340.38 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 N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzo[e][1]benzofuran-2-carboxamide is sourced from PubChem (CID 6876234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).