2-(4-nitronaphthalen-1-yl)oxyacetamide

C12H10N2O4 — CID 55225970

IUPAC2-(4-nitronaphthalen-1-yl)oxyacetamide
SMILESNC(=O)COc1ccc([N+](=O)[O-])c2ccccc12
InChIInChI=1S/C12H10N2O4/c13-12(15)7-18-11-6-5-10(14(16)17)8-3-1-2-4-9(8)11/h1-6H,7H2,(H2,13,15)
InChIKeyFHYITAAABWWQKY-UHFFFAOYSA-N
MW246.22 g/mol
LogP1.61
Rot. Bonds4

About 2-(4-nitronaphthalen-1-yl)oxyacetamide

2-(4-nitronaphthalen-1-yl)oxyacetamide (PubChem CID 55225970) has the molecular formula C12H10N2O4 and a molecular weight of 246.22 g/mol. Its IUPAC name is 2-(4-nitronaphthalen-1-yl)oxyacetamide.

Molecular Properties

Compound Name2-(4-nitronaphthalen-1-yl)oxyacetamide
PubChem CID55225970
Molecular FormulaC12H10N2O4
Molecular Weight246.22 g/mol
Exact Mass246.06
IUPAC Name2-(4-nitronaphthalen-1-yl)oxyacetamide
SMILESNC(=O)COc1ccc([N+](=O)[O-])c2ccccc12
InChIInChI=1S/C12H10N2O4/c13-12(15)7-18-11-6-5-10(14(16)17)8-3-1-2-4-9(8)11/h1-6H,7H2,(H2,13,15)
InChIKeyFHYITAAABWWQKY-UHFFFAOYSA-N
XLogP1.61
TPSA95.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethane;1-(4-nitronaphthalen-1-yl)oxypropan-2-one
CID 143171180
4-(4-nitronaphthalen-1-yl)oxybutanoic acid
CID 63690121
2-(4-methyl-2-nitrophenoxy)acetamide
CID 8538614
1-(3-chloropropoxy)-4-nitronaphthalene
CID 63690142
(E)-4-(4-nitronaphthalen-1-yl)oxybut-2-enoic acid
CID 63690278
6-(4-nitronaphthalen-1-yl)oxyhexan-2-one
CID 63691549
2-(4-formyl-2-nitrophenoxy)acetamide
CID 43082663
2-(2-methyl-3-nitrophenoxy)acetamide
CID 47214184
(2S)-2-(4-nitronaphthalen-1-yl)oxypropanoic acid
CID 98580976
1-(5-chloropentoxy)-4-nitronaphthalene
CID 63690144
3-(4-nitronaphthalen-1-yl)oxypropanenitrile
CID 63690149
methyl 2-(4-nitronaphthalen-1-yl)oxypropanoate
CID 63690119

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitronaphthalen-1-yl)oxyacetamide?
The IUPAC name of 2-(4-nitronaphthalen-1-yl)oxyacetamide (CID 55225970) is 2-(4-nitronaphthalen-1-yl)oxyacetamide.
What is the SMILES notation for 2-(4-nitronaphthalen-1-yl)oxyacetamide?
The canonical SMILES for 2-(4-nitronaphthalen-1-yl)oxyacetamide is NC(=O)COc1ccc([N+](=O)[O-])c2ccccc12.
What is the InChIKey of 2-(4-nitronaphthalen-1-yl)oxyacetamide?
The InChIKey is FHYITAAABWWQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4/c13-12(15)7-18-11-6-5-10(14(16)17)8-3-1-2-4-9(8)11/h1-6H,7H2,(H2,13,15).
What are the key properties of 2-(4-nitronaphthalen-1-yl)oxyacetamide?
2-(4-nitronaphthalen-1-yl)oxyacetamide has a molecular weight of 246.22 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitronaphthalen-1-yl)oxyacetamide is sourced from PubChem (CID 55225970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).