N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylmethoxybenzamide

C25H19N3O5 — CID 6873079

IUPACN-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylmethoxybenzamide
SMILESO=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1OCc1ccccc1
InChIInChI=1S/C25H19N3O5/c29-25(22-8-4-5-9-24(22)32-17-18-6-2-1-3-7-18)27-26-16-21-14-15-23(33-21)19-10-12-20(13-11-19)28(30)31/h1-16H,17H2,(H,27,29)/b26-16+
InChIKeyGWLQVRCAOVOWGV-WGOQTCKBSA-N
MW441.44 g/mol
LogP5.20
Rot. Bonds8

About N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylmethoxybenzamide

N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylmethoxybenzamide (PubChem CID 6873079) has the molecular formula C25H19N3O5 and a molecular weight of 441.44 g/mol. Its IUPAC name is N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylmethoxybenzamide
PubChem CID6873079
Molecular FormulaC25H19N3O5
Molecular Weight441.44 g/mol
Exact Mass441.13
IUPAC NameN-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylmethoxybenzamide
SMILESO=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1OCc1ccccc1
InChIInChI=1S/C25H19N3O5/c29-25(22-8-4-5-9-24(22)32-17-18-6-2-1-3-7-18)27-26-16-21-14-15-23(33-21)19-10-12-20(13-11-19)28(30)31/h1-16H,17H2,(H,27,29)/b26-16+
InChIKeyGWLQVRCAOVOWGV-WGOQTCKBSA-N
XLogP5.20
TPSA106.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.44
LogP ≤ 55.20
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-[(E)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylmethoxybenzamide
CID 19657729
4-[5-[(E)-[(2-phenylmethoxybenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 19657844
N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-phenylmethoxybenzamide
CID 19657732
N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 5333131
N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 5008121
N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 135472388
2-(2-nitrophenoxy)-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 6871801
N-[(E)-[3,5-diiodo-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-phenylmethoxybenzamide
CID 19657830
2-[(3-bromophenyl)methoxy]-N-[(4-nitrophenyl)methylideneamino]benzamide
CID 71960184
4-[5-[(E)-[[2-[(2-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 19657386
2-benzylsulfanyl-N-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 3948367
4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 3603226

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylmethoxybenzamide?
The IUPAC name of N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylmethoxybenzamide (CID 6873079) is N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylmethoxybenzamide.
What is the SMILES notation for N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylmethoxybenzamide?
The canonical SMILES for N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylmethoxybenzamide is O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1OCc1ccccc1.
What is the InChIKey of N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylmethoxybenzamide?
The InChIKey is GWLQVRCAOVOWGV-WGOQTCKBSA-N. The full InChI is InChI=1S/C25H19N3O5/c29-25(22-8-4-5-9-24(22)32-17-18-6-2-1-3-7-18)27-26-16-21-14-15-23(33-21)19-10-12-20(13-11-19)28(30)31/h1-16H,17H2,(H,27,29)/b26-16+.
What are the key properties of N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylmethoxybenzamide?
N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylmethoxybenzamide has a molecular weight of 441.44 g/mol, XLogP of 5.20, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylmethoxybenzamide is sourced from PubChem (CID 6873079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).