2-(naphthalen-1-ylamino)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide

C17H14N4O4 — CID 6884367

IUPAC2-(naphthalen-1-ylamino)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide
SMILESO=C(CNc1cccc2ccccc12)N/N=C/c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C17H14N4O4/c22-16(20-19-10-13-8-9-17(25-13)21(23)24)11-18-15-7-3-5-12-4-1-2-6-14(12)15/h1-10,18H,11H2,(H,20,22)/b19-10+
InChIKeyZEUTZRYWGMGMEG-VXLYETTFSA-N
MW338.32 g/mol
LogP2.90
Rot. Bonds6

About 2-(naphthalen-1-ylamino)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide

2-(naphthalen-1-ylamino)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide (PubChem CID 6884367) has the molecular formula C17H14N4O4 and a molecular weight of 338.32 g/mol. Its IUPAC name is 2-(naphthalen-1-ylamino)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(naphthalen-1-ylamino)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide
PubChem CID6884367
Molecular FormulaC17H14N4O4
Molecular Weight338.32 g/mol
Exact Mass338.10
IUPAC Name2-(naphthalen-1-ylamino)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide
SMILESO=C(CNc1cccc2ccccc12)N/N=C/c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C17H14N4O4/c22-16(20-19-10-13-8-9-17(25-13)21(23)24)11-18-15-7-3-5-12-4-1-2-6-14(12)15/h1-10,18H,11H2,(H,20,22)/b19-10+
InChIKeyZEUTZRYWGMGMEG-VXLYETTFSA-N
XLogP2.90
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 52.90
H-Bond Donors ≤ 52
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-(3,4-dimethylphenyl)-N'-[(E)-(5-nitrofuran-2-yl)methylideneamino]butanediamide
CID 6875690
N-(2-fluorophenyl)-2-[(2E)-2-{[5-(2-methyl-3-nitrophenyl)furan-2-yl]methylidene}hydrazinyl]-2-oxoacetamide
CID 6866730
N-[2-[(2E)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 6893438
2-[(4-methylphenyl)amino]-N'-[(5-nitro-2-furyl)methylene]acetohydrazide
CID 5392442
2-{3-nitroanilino}-N'-({5-nitro-2-furyl}methylene)acetohydrazide
CID 6872741
2-(naphthalen-2-ylamino)-N'-[(E)-(5-nitrofuran-2-yl)methylidene]acetohydrazide (non-preferred name)
CID 6884770
2-anilino-N'-({5-nitro-2-furyl}methylene)acetohydrazide
CID 9564693
N-[1-(Furan-2-ylmethylene-hydrazinocarbonyl)-2-(3-nitro-phenyl)-vinyl]-benzamide
CID 9595066
4-(butylamino)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 118733694
(E)-4-methyl-N-(2-(2-((5-methylfuran-2-yl)methylene)hydrazinyl)-2-oxoethyl)-3-nitrobenzamide
CID 9623900
N'-[(E)-furan-2-ylmethylideneamino]-N-naphthalen-1-ylbutanediamide
CID 6874198
(E)-2-methyl-N-(2-(2-((5-methylfuran-2-yl)methylene)hydrazinyl)-2-oxoethyl)-3-nitrobenzamide
CID 9605764

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-1-ylamino)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide?
The IUPAC name of 2-(naphthalen-1-ylamino)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide (CID 6884367) is 2-(naphthalen-1-ylamino)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(naphthalen-1-ylamino)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(naphthalen-1-ylamino)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide is O=C(CNc1cccc2ccccc12)N/N=C/c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 2-(naphthalen-1-ylamino)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide?
The InChIKey is ZEUTZRYWGMGMEG-VXLYETTFSA-N. The full InChI is InChI=1S/C17H14N4O4/c22-16(20-19-10-13-8-9-17(25-13)21(23)24)11-18-15-7-3-5-12-4-1-2-6-14(12)15/h1-10,18H,11H2,(H,20,22)/b19-10+.
What are the key properties of 2-(naphthalen-1-ylamino)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide?
2-(naphthalen-1-ylamino)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide has a molecular weight of 338.32 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-1-ylamino)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide is sourced from PubChem (CID 6884367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).