N'-naphthalen-1-yl-N-(3-nitrophenyl)oxamide

C18H13N3O4 — CID 108513330

IUPACN'-naphthalen-1-yl-N-(3-nitrophenyl)oxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C18H13N3O4/c22-17(19-13-7-4-8-14(11-13)21(24)25)18(23)20-16-10-3-6-12-5-1-2-9-15(12)16/h1-11H,(H,19,22)(H,20,23)
InChIKeyKDKCPWFORUSPFX-UHFFFAOYSA-N
MW335.32 g/mol
LogP3.33
Rot. Bonds3

About N'-naphthalen-1-yl-N-(3-nitrophenyl)oxamide

N'-naphthalen-1-yl-N-(3-nitrophenyl)oxamide (PubChem CID 108513330) has the molecular formula C18H13N3O4 and a molecular weight of 335.32 g/mol. Its IUPAC name is N'-naphthalen-1-yl-N-(3-nitrophenyl)oxamide.

Molecular Properties

Compound NameN'-naphthalen-1-yl-N-(3-nitrophenyl)oxamide
PubChem CID108513330
Molecular FormulaC18H13N3O4
Molecular Weight335.32 g/mol
Exact Mass335.09
IUPAC NameN'-naphthalen-1-yl-N-(3-nitrophenyl)oxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C18H13N3O4/c22-17(19-13-7-4-8-14(11-13)21(24)25)18(23)20-16-10-3-6-12-5-1-2-9-15(12)16/h1-11H,(H,19,22)(H,20,23)
InChIKeyKDKCPWFORUSPFX-UHFFFAOYSA-N
XLogP3.33
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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'-(2-bromophenyl)-N-(3-nitrophenyl)oxamide
CID 108513373
2-[[2-(3-nitroanilino)-2-oxoacetyl]amino]benzoic acid
CID 3901813
N'-(3-fluorophenyl)-N-(3-nitrophenyl)oxamide
CID 108513374
1-naphthalen-1-yl-3-(4-nitrophenyl)urea
CID 5086557
N'-(3,5-dimethylphenyl)-N-(3-nitrophenyl)oxamide
CID 45001006
N-(2-chloroethyl)-N'-(3-nitrophenyl)oxamide
CID 108513255
N-(3,4-dimethylphenyl)-N'-naphthalen-1-yloxamide
CID 108523122
N-[[4-(dimethylamino)phenyl]methyl]-N'-(3-nitrophenyl)oxamide
CID 71894770
N-(4-acetylphenyl)-N'-(3-nitrophenyl)oxamide
CID 108513258
2-iodo-N-(3-nitrophenyl)acetamide
CID 12611682
2-N-naphthalen-1-yl-1-N-(4-nitrophenyl)benzene-1,2-dicarboxamide
CID 6610544
2-(methylamino)-N-naphthalen-1-yl-5-nitrobenzamide
CID 16963020

Frequently Asked Questions

What is the IUPAC name of N'-naphthalen-1-yl-N-(3-nitrophenyl)oxamide?
The IUPAC name of N'-naphthalen-1-yl-N-(3-nitrophenyl)oxamide (CID 108513330) is N'-naphthalen-1-yl-N-(3-nitrophenyl)oxamide.
What is the SMILES notation for N'-naphthalen-1-yl-N-(3-nitrophenyl)oxamide?
The canonical SMILES for N'-naphthalen-1-yl-N-(3-nitrophenyl)oxamide is O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of N'-naphthalen-1-yl-N-(3-nitrophenyl)oxamide?
The InChIKey is KDKCPWFORUSPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O4/c22-17(19-13-7-4-8-14(11-13)21(24)25)18(23)20-16-10-3-6-12-5-1-2-9-15(12)16/h1-11H,(H,19,22)(H,20,23).
What are the key properties of N'-naphthalen-1-yl-N-(3-nitrophenyl)oxamide?
N'-naphthalen-1-yl-N-(3-nitrophenyl)oxamide has a molecular weight of 335.32 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-naphthalen-1-yl-N-(3-nitrophenyl)oxamide is sourced from PubChem (CID 108513330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).