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

C16H11N3O4 — CID 5418856

IUPACN-[(Z)-(4-nitrophenyl)methylideneamino]-1-benzofuran-2-carboxamide
SMILESO=C(N/N=C\c1ccc([N+](=O)[O-])cc1)c1cc2ccccc2o1
InChIInChI=1S/C16H11N3O4/c20-16(15-9-12-3-1-2-4-14(12)23-15)18-17-10-11-5-7-13(8-6-11)19(21)22/h1-10H,(H,18,20)/b17-10-
InChIKeyBVTHYDVGGHKZAS-YVLHZVERSA-N
MW309.28 g/mol
LogP3.10
Rot. Bonds4

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

N-[(Z)-(4-nitrophenyl)methylideneamino]-1-benzofuran-2-carboxamide (PubChem CID 5418856) has the molecular formula C16H11N3O4 and a molecular weight of 309.28 g/mol. Its IUPAC name is N-[(Z)-(4-nitrophenyl)methylideneamino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(4-nitrophenyl)methylideneamino]-1-benzofuran-2-carboxamide
PubChem CID5418856
Molecular FormulaC16H11N3O4
Molecular Weight309.28 g/mol
Exact Mass309.07
IUPAC NameN-[(Z)-(4-nitrophenyl)methylideneamino]-1-benzofuran-2-carboxamide
SMILESO=C(N/N=C\c1ccc([N+](=O)[O-])cc1)c1cc2ccccc2o1
InChIInChI=1S/C16H11N3O4/c20-16(15-9-12-3-1-2-4-14(12)23-15)18-17-10-11-5-7-13(8-6-11)19(21)22/h1-10H,(H,18,20)/b17-10-
InChIKeyBVTHYDVGGHKZAS-YVLHZVERSA-N
XLogP3.10
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.28
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-benzylideneamino]-5-nitro-1-benzofuran-2-carboxamide
CID 121005396
N-[(Z)-(4-cyanophenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 5411313
4-[(Z)-(1-benzofuran-2-carbonylhydrazinylidene)methyl]benzoic acid
CID 5427120
N-[(E)-[1-[(4-nitrophenyl)methyl]indol-3-yl]methylideneamino]-1-benzofuran-2-carboxamide
CID 124528135
5-ethoxy-N-[(E)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-1-benzofuran-2-carboxamide
CID 126197301
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 6882841
N-[(E)-(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 137138898
N-[[2-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-1-benzofuran-2-carboxamide
CID 1497044
N-[4-(4-nitrophenyl)sulfanylphenyl]-1-benzofuran-2-carboxamide
CID 17296716
[4-[(Z)-(1-benzofuran-2-carbonylhydrazinylidene)methyl]phenyl] (E)-3-phenylprop-2-enoate
CID 6104350
N-[[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-1-benzofuran-2-carboxamide
CID 1018695
2-amino-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide
CID 5407743

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-nitrophenyl)methylideneamino]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(Z)-(4-nitrophenyl)methylideneamino]-1-benzofuran-2-carboxamide (CID 5418856) is N-[(Z)-(4-nitrophenyl)methylideneamino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(Z)-(4-nitrophenyl)methylideneamino]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(Z)-(4-nitrophenyl)methylideneamino]-1-benzofuran-2-carboxamide is O=C(N/N=C\c1ccc([N+](=O)[O-])cc1)c1cc2ccccc2o1.
What is the InChIKey of N-[(Z)-(4-nitrophenyl)methylideneamino]-1-benzofuran-2-carboxamide?
The InChIKey is BVTHYDVGGHKZAS-YVLHZVERSA-N. The full InChI is InChI=1S/C16H11N3O4/c20-16(15-9-12-3-1-2-4-14(12)23-15)18-17-10-11-5-7-13(8-6-11)19(21)22/h1-10H,(H,18,20)/b17-10-.
What are the key properties of N-[(Z)-(4-nitrophenyl)methylideneamino]-1-benzofuran-2-carboxamide?
N-[(Z)-(4-nitrophenyl)methylideneamino]-1-benzofuran-2-carboxamide has a molecular weight of 309.28 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-nitrophenyl)methylideneamino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 5418856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).