N-[[2-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-1-benzofuran-2-carboxamide

C23H17N3O5 — CID 1497044

IUPACN-[[2-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-1-benzofuran-2-carboxamide
SMILESO=C(NN=Cc1ccccc1OCc1cccc([N+](=O)[O-])c1)c1cc2ccccc2o1
InChIInChI=1S/C23H17N3O5/c27-23(22-13-17-7-1-4-11-21(17)31-22)25-24-14-18-8-2-3-10-20(18)30-15-16-6-5-9-19(12-16)26(28)29/h1-14H,15H2,(H,25,27)
InChIKeyZEOBXZJRYHDACH-UHFFFAOYSA-N
MW415.41 g/mol
LogP4.68
Rot. Bonds7

About N-[[2-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-1-benzofuran-2-carboxamide

N-[[2-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-1-benzofuran-2-carboxamide (PubChem CID 1497044) has the molecular formula C23H17N3O5 and a molecular weight of 415.41 g/mol. Its IUPAC name is N-[[2-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[[2-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-1-benzofuran-2-carboxamide
PubChem CID1497044
Molecular FormulaC23H17N3O5
Molecular Weight415.41 g/mol
Exact Mass415.12
IUPAC NameN-[[2-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-1-benzofuran-2-carboxamide
SMILESO=C(NN=Cc1ccccc1OCc1cccc([N+](=O)[O-])c1)c1cc2ccccc2o1
InChIInChI=1S/C23H17N3O5/c27-23(22-13-17-7-1-4-11-21(17)31-22)25-24-14-18-8-2-3-10-20(18)30-15-16-6-5-9-19(12-16)26(28)29/h1-14H,15H2,(H,25,27)
InChIKeyZEOBXZJRYHDACH-UHFFFAOYSA-N
XLogP4.68
TPSA106.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.41
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(Z)-[2-bromo-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-1-benzofuran-2-carboxamide
CID 6026439
N-[[2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-5-nitro-1-benzofuran-2-carboxamide
CID 3755127
3-hydroxy-N-[[2-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]naphthalene-2-carboxamide
CID 5137761
N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-1-benzofuran-2-carboxamide
CID 96878778
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
N-[(E)-(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 137138898
N-[(Z)-(4-nitrophenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 5418856
5-ethoxy-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 126194492
N-[[5-bromo-2-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3506189
(2R)-2-[2-methoxy-6-[(Z)-[(5-nitro-1-benzofuran-2-carbonyl)hydrazinylidene]methyl]phenoxy]propanoic acid
CID 126249456
N-[(E)-[3,5-dibromo-4-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-5-ethoxy-1-benzofuran-2-carboxamide
CID 126194199

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[[2-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-1-benzofuran-2-carboxamide (CID 1497044) is N-[[2-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[[2-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[[2-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-1-benzofuran-2-carboxamide is O=C(NN=Cc1ccccc1OCc1cccc([N+](=O)[O-])c1)c1cc2ccccc2o1.
What is the InChIKey of N-[[2-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-1-benzofuran-2-carboxamide?
The InChIKey is ZEOBXZJRYHDACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O5/c27-23(22-13-17-7-1-4-11-21(17)31-22)25-24-14-18-8-2-3-10-20(18)30-15-16-6-5-9-19(12-16)26(28)29/h1-14H,15H2,(H,25,27).
What are the key properties of N-[[2-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-1-benzofuran-2-carboxamide?
N-[[2-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-1-benzofuran-2-carboxamide has a molecular weight of 415.41 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 1497044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).