N-[(E)-1-benzofuran-2-ylmethylideneamino]-2-benzylbenzamide

C23H18N2O2 — CID 45109132

IUPACN-[(E)-1-benzofuran-2-ylmethylideneamino]-2-benzylbenzamide
SMILESO=C(N/N=C/c1cc2ccccc2o1)c1ccccc1Cc1ccccc1
InChIInChI=1S/C23H18N2O2/c26-23(25-24-16-20-15-19-11-5-7-13-22(19)27-20)21-12-6-4-10-18(21)14-17-8-2-1-3-9-17/h1-13,15-16H,14H2,(H,25,26)/b24-16+
InChIKeyOAAAFAQIOGVSHJ-LFVJCYFKSA-N
MW354.41 g/mol
LogP4.79
Rot. Bonds5

About N-[(E)-1-benzofuran-2-ylmethylideneamino]-2-benzylbenzamide

N-[(E)-1-benzofuran-2-ylmethylideneamino]-2-benzylbenzamide (PubChem CID 45109132) has the molecular formula C23H18N2O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[(E)-1-benzofuran-2-ylmethylideneamino]-2-benzylbenzamide.

Molecular Properties

Compound NameN-[(E)-1-benzofuran-2-ylmethylideneamino]-2-benzylbenzamide
PubChem CID45109132
Molecular FormulaC23H18N2O2
Molecular Weight354.41 g/mol
Exact Mass354.14
IUPAC NameN-[(E)-1-benzofuran-2-ylmethylideneamino]-2-benzylbenzamide
SMILESO=C(N/N=C/c1cc2ccccc2o1)c1ccccc1Cc1ccccc1
InChIInChI=1S/C23H18N2O2/c26-23(25-24-16-20-15-19-11-5-7-13-22(19)27-20)21-12-6-4-10-18(21)14-17-8-2-1-3-9-17/h1-13,15-16H,14H2,(H,25,26)/b24-16+
InChIKeyOAAAFAQIOGVSHJ-LFVJCYFKSA-N
XLogP4.79
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.79
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)-1-benzofuran-2-ylmethylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 45109193
N-[(E)-1-benzofuran-2-ylmethylideneamino]-2-(1-phenylpropan-2-ylamino)acetamide
CID 20838461
N-[(E)-1-benzofuran-2-ylmethylideneamino]-2-(dimethylamino)acetamide
CID 20843932
N-(1-benzofuran-2-ylmethylideneamino)-2-methyl-3-phenylprop-2-enamide
CID 6735281
N-[(E)-1-benzofuran-2-ylmethylideneamino]-2-pyrrolidin-1-ylacetamide;hydrate;hydrochloride
CID 134098075
N-[(Z)-benzylideneamino]-2-iminochromene-3-carboxamide
CID 5453496
4-[(Z)-(1-benzofuran-2-carbonylhydrazinylidene)methyl]benzoic acid
CID 5427120
N-[(E)-benzylideneamino]-2-(hydroxymethyl)benzamide
CID 138392331
N-[(E)-(2-iodophenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 124553849
2-benzyl-N-[(E)-(5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)methylideneamino]benzamide
CID 135804166
2-[2-[(Z)-(1-benzofuran-2-carbonylhydrazinylidene)methyl]phenoxy]acetic acid
CID 5426350
2-[2-[(1-benzofuran-2-carbonylhydrazinylidene)methyl]phenoxy]acetic acid
CID 958206

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-benzofuran-2-ylmethylideneamino]-2-benzylbenzamide?
The IUPAC name of N-[(E)-1-benzofuran-2-ylmethylideneamino]-2-benzylbenzamide (CID 45109132) is N-[(E)-1-benzofuran-2-ylmethylideneamino]-2-benzylbenzamide.
What is the SMILES notation for N-[(E)-1-benzofuran-2-ylmethylideneamino]-2-benzylbenzamide?
The canonical SMILES for N-[(E)-1-benzofuran-2-ylmethylideneamino]-2-benzylbenzamide is O=C(N/N=C/c1cc2ccccc2o1)c1ccccc1Cc1ccccc1.
What is the InChIKey of N-[(E)-1-benzofuran-2-ylmethylideneamino]-2-benzylbenzamide?
The InChIKey is OAAAFAQIOGVSHJ-LFVJCYFKSA-N. The full InChI is InChI=1S/C23H18N2O2/c26-23(25-24-16-20-15-19-11-5-7-13-22(19)27-20)21-12-6-4-10-18(21)14-17-8-2-1-3-9-17/h1-13,15-16H,14H2,(H,25,26)/b24-16+.
What are the key properties of N-[(E)-1-benzofuran-2-ylmethylideneamino]-2-benzylbenzamide?
N-[(E)-1-benzofuran-2-ylmethylideneamino]-2-benzylbenzamide has a molecular weight of 354.41 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-benzofuran-2-ylmethylideneamino]-2-benzylbenzamide is sourced from PubChem (CID 45109132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).