2-(2-nitrophenyl)-N-oxoacetamide

C8H6N2O4 — CID 174738474

IUPAC2-(2-nitrophenyl)-N-oxoacetamide
SMILESO=NC(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C8H6N2O4/c11-8(9-12)5-6-3-1-2-4-7(6)10(13)14/h1-4H,5H2
InChIKeyACJXFGZHMYOCNQ-UHFFFAOYSA-N
MW194.15 g/mol
LogP1.43
Rot. Bonds3

About 2-(2-nitrophenyl)-N-oxoacetamide

2-(2-nitrophenyl)-N-oxoacetamide (PubChem CID 174738474) has the molecular formula C8H6N2O4 and a molecular weight of 194.15 g/mol. Its IUPAC name is 2-(2-nitrophenyl)-N-oxoacetamide.

Molecular Properties

Compound Name2-(2-nitrophenyl)-N-oxoacetamide
PubChem CID174738474
Molecular FormulaC8H6N2O4
Molecular Weight194.15 g/mol
Exact Mass194.03
IUPAC Name2-(2-nitrophenyl)-N-oxoacetamide
SMILESO=NC(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C8H6N2O4/c11-8(9-12)5-6-3-1-2-4-7(6)10(13)14/h1-4H,5H2
InChIKeyACJXFGZHMYOCNQ-UHFFFAOYSA-N
XLogP1.43
TPSA89.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.15
LogP ≤ 51.43
H-Bond Donors ≤ 50
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

fluoro 2-(2-nitrophenyl)acetate
CID 174655979
methyl 2-(2-nitrophenyl)acetate
CID 520464
1,2-bis(2-nitrophenyl)ethanone
CID 2750227
[3-(2-nitrophenyl)-2-oxopropyl]azanium
CID 143919677
2-(2-nitrophenyl)-1-phenylethanone
CID 2754368
(2-nitrophenyl)methanol
CID 11923
(2Z)-2-hydroxyimino-3-(2-nitrophenyl)propanoic acid
CID 6400570
1-cyclopropyl-2-(2-nitrophenyl)ethanone
CID 61055692
2-(2-nitrophenyl)-N,1-diphenylethanimine
CID 141478999
methanol;(2-nitrophenyl)methanol
CID 70046885
1-nitro-2-(2,2,2-tribromoethyl)benzene
CID 142647889
4-(2-nitrophenyl)-2-nitrosobutanoic acid
CID 57027071

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenyl)-N-oxoacetamide?
The IUPAC name of 2-(2-nitrophenyl)-N-oxoacetamide (CID 174738474) is 2-(2-nitrophenyl)-N-oxoacetamide.
What is the SMILES notation for 2-(2-nitrophenyl)-N-oxoacetamide?
The canonical SMILES for 2-(2-nitrophenyl)-N-oxoacetamide is O=NC(=O)Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-(2-nitrophenyl)-N-oxoacetamide?
The InChIKey is ACJXFGZHMYOCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O4/c11-8(9-12)5-6-3-1-2-4-7(6)10(13)14/h1-4H,5H2.
What are the key properties of 2-(2-nitrophenyl)-N-oxoacetamide?
2-(2-nitrophenyl)-N-oxoacetamide has a molecular weight of 194.15 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenyl)-N-oxoacetamide is sourced from PubChem (CID 174738474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).