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

C19H15N3O4 — CID 6883805

IUPACN-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1
InChIInChI=1S/C19H15N3O4/c23-19(12-14-4-2-1-3-5-14)21-20-13-17-10-11-18(26-17)15-6-8-16(9-7-15)22(24)25/h1-11,13H,12H2,(H,21,23)/b20-13+
InChIKeyMMRCYJSCKXDLSJ-DEDYPNTBSA-N
MW349.35 g/mol
LogP3.55
Rot. Bonds6

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

N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide (PubChem CID 6883805) has the molecular formula C19H15N3O4 and a molecular weight of 349.35 g/mol. Its IUPAC name is N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide
PubChem CID6883805
Molecular FormulaC19H15N3O4
Molecular Weight349.35 g/mol
Exact Mass349.11
IUPAC NameN-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1
InChIInChI=1S/C19H15N3O4/c23-19(12-14-4-2-1-3-5-14)21-20-13-17-10-11-18(26-17)15-6-8-16(9-7-15)22(24)25/h1-11,13H,12H2,(H,21,23)/b20-13+
InChIKeyMMRCYJSCKXDLSJ-DEDYPNTBSA-N
XLogP3.55
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 53.55
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

Dantrolene
CID 6914273
Dantrolene Sodium
CID 6604100
1-({[5-(4-Nitrophenyl)furan-2-yl]methylidene}amino)imidazolidine-2,4-dione
CID 2952
[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]urea
CID 6870715
5-(4-Nitrophenyl)-2-furaldehyde oxime
CID 5720725
2,5-Bis-(4-nitro-phenyl)-furan
CID 2818433
(2E)-2-{[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylidene}hydrazinecarboxamide
CID 6882070
4-[(2E)-2-[(E)-3-(5-nitro-2-furyl)prop-2-enylidene]hydrazino]benzoic acid
CID 6899614
2-hydroxy-N-[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 6868808
5-(4-Nitrophenyl)-2-furaldehyde methyl(phenyl)hydrazone
CID 5334025
tert-butyl N-[(E)-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]carbamate
CID 6883311
(E)-N-(4-Methylpiperazin-1-yl)-1-[5-(4-nitrophenyl)furan-2-yl]methanimine
CID 9594270

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide?
The IUPAC name of N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide (CID 6883805) is N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide.
What is the SMILES notation for N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide?
The canonical SMILES for N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide is O=C(Cc1ccccc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1.
What is the InChIKey of N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide?
The InChIKey is MMRCYJSCKXDLSJ-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H15N3O4/c23-19(12-14-4-2-1-3-5-14)21-20-13-17-10-11-18(26-17)15-6-8-16(9-7-15)22(24)25/h1-11,13H,12H2,(H,21,23)/b20-13+.
What are the key properties of N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide?
N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide has a molecular weight of 349.35 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide is sourced from PubChem (CID 6883805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).