N-[(Z)-(4-cyanophenyl)methylideneamino]-1-benzofuran-2-carboxamide

C17H11N3O2 — CID 5411313

IUPACN-[(Z)-(4-cyanophenyl)methylideneamino]-1-benzofuran-2-carboxamide
SMILESN#Cc1ccc(/C=N\NC(=O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C17H11N3O2/c18-10-12-5-7-13(8-6-12)11-19-20-17(21)16-9-14-3-1-2-4-15(14)22-16/h1-9,11H,(H,20,21)/b19-11-
InChIKeyPAUUKFBAGMYJDD-ODLFYWEKSA-N
MW289.29 g/mol
LogP3.07
Rot. Bonds3

About N-[(Z)-(4-cyanophenyl)methylideneamino]-1-benzofuran-2-carboxamide

N-[(Z)-(4-cyanophenyl)methylideneamino]-1-benzofuran-2-carboxamide (PubChem CID 5411313) has the molecular formula C17H11N3O2 and a molecular weight of 289.29 g/mol. Its IUPAC name is N-[(Z)-(4-cyanophenyl)methylideneamino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(4-cyanophenyl)methylideneamino]-1-benzofuran-2-carboxamide
PubChem CID5411313
Molecular FormulaC17H11N3O2
Molecular Weight289.29 g/mol
Exact Mass289.09
IUPAC NameN-[(Z)-(4-cyanophenyl)methylideneamino]-1-benzofuran-2-carboxamide
SMILESN#Cc1ccc(/C=N\NC(=O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C17H11N3O2/c18-10-12-5-7-13(8-6-12)11-19-20-17(21)16-9-14-3-1-2-4-15(14)22-16/h1-9,11H,(H,20,21)/b19-11-
InChIKeyPAUUKFBAGMYJDD-ODLFYWEKSA-N
XLogP3.07
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 53.07
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

4-[(Z)-(1-benzofuran-2-carbonylhydrazinylidene)methyl]benzoic acid
CID 5427120
N-[(Z)-(4-nitrophenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 5418856
N-[[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-1-benzofuran-2-carboxamide
CID 1018695
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 6882841
[4-[(Z)-(1-benzofuran-2-carbonylhydrazinylidene)methyl]phenyl] (E)-3-phenylprop-2-enoate
CID 6104350
N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 96883350
N-[[3-bromo-4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-1-benzofuran-2-carboxamide
CID 3413947
N-[(E)-(2-iodophenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 124553849
N-[(E)-(5-methyl-1-propan-2-ylpyrrol-3-yl)methylideneamino]-1-benzofuran-2-carboxamide
CID 50857033
N-[(E)-(1-propan-2-ylpyrrol-3-yl)methylideneamino]-1-benzofuran-2-carboxamide
CID 50853757
N-[(E)-(3-bromo-5-chloro-4-hydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 137173683
N-[(E)-benzylideneamino]-5-nitro-1-benzofuran-2-carboxamide
CID 121005396

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-cyanophenyl)methylideneamino]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(Z)-(4-cyanophenyl)methylideneamino]-1-benzofuran-2-carboxamide (CID 5411313) is N-[(Z)-(4-cyanophenyl)methylideneamino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(Z)-(4-cyanophenyl)methylideneamino]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(Z)-(4-cyanophenyl)methylideneamino]-1-benzofuran-2-carboxamide is N#Cc1ccc(/C=N\NC(=O)c2cc3ccccc3o2)cc1.
What is the InChIKey of N-[(Z)-(4-cyanophenyl)methylideneamino]-1-benzofuran-2-carboxamide?
The InChIKey is PAUUKFBAGMYJDD-ODLFYWEKSA-N. The full InChI is InChI=1S/C17H11N3O2/c18-10-12-5-7-13(8-6-12)11-19-20-17(21)16-9-14-3-1-2-4-15(14)22-16/h1-9,11H,(H,20,21)/b19-11-.
What are the key properties of N-[(Z)-(4-cyanophenyl)methylideneamino]-1-benzofuran-2-carboxamide?
N-[(Z)-(4-cyanophenyl)methylideneamino]-1-benzofuran-2-carboxamide has a molecular weight of 289.29 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-cyanophenyl)methylideneamino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 5411313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).