2-amino-2-nitro-1,2-diphenylethanone

C14H12N2O3 — CID 174848999

IUPAC2-amino-2-nitro-1,2-diphenylethanone
SMILESNC(C(=O)c1ccccc1)(c1ccccc1)[N+](=O)[O-]
InChIInChI=1S/C14H12N2O3/c15-14(16(18)19,12-9-5-2-6-10-12)13(17)11-7-3-1-4-8-11/h1-10H,15H2
InChIKeyZKKWVNAMXMMQJQ-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.96
Rot. Bonds4

About 2-amino-2-nitro-1,2-diphenylethanone

2-amino-2-nitro-1,2-diphenylethanone (PubChem CID 174848999) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-amino-2-nitro-1,2-diphenylethanone.

Molecular Properties

Compound Name2-amino-2-nitro-1,2-diphenylethanone
PubChem CID174848999
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name2-amino-2-nitro-1,2-diphenylethanone
SMILESNC(C(=O)c1ccccc1)(c1ccccc1)[N+](=O)[O-]
InChIInChI=1S/C14H12N2O3/c15-14(16(18)19,12-9-5-2-6-10-12)13(17)11-7-3-1-4-8-11/h1-10H,15H2
InChIKeyZKKWVNAMXMMQJQ-UHFFFAOYSA-N
XLogP1.96
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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

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CID 157126281
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(2R)-2-amino-2-(4-methylphenyl)-1,2-diphenylethanone
CID 102359954
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2-amino-2-hydroxy-2-phenylacetamide
CID 149436781
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CID 70380510
3-hydroxy-2-(hydroxymethyl)-1,2-diphenylpropan-1-one
CID 150106671
hydrazine;nitric acid;trifluoromethylbenzene
CID 174887362
4-methyl-4-nitro-5-oxo-5-phenylpentanal
CID 13130348
2-hydroxy-3-nitro-4-oxo-4-phenylbutane-1,2,3-tricarboxylic acid
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2,2-difluoro-1,3-diphenylpropane-1,3-dione
CID 3317886

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-nitro-1,2-diphenylethanone?
The IUPAC name of 2-amino-2-nitro-1,2-diphenylethanone (CID 174848999) is 2-amino-2-nitro-1,2-diphenylethanone.
What is the SMILES notation for 2-amino-2-nitro-1,2-diphenylethanone?
The canonical SMILES for 2-amino-2-nitro-1,2-diphenylethanone is NC(C(=O)c1ccccc1)(c1ccccc1)[N+](=O)[O-].
What is the InChIKey of 2-amino-2-nitro-1,2-diphenylethanone?
The InChIKey is ZKKWVNAMXMMQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c15-14(16(18)19,12-9-5-2-6-10-12)13(17)11-7-3-1-4-8-11/h1-10H,15H2.
What are the key properties of 2-amino-2-nitro-1,2-diphenylethanone?
2-amino-2-nitro-1,2-diphenylethanone has a molecular weight of 256.26 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-nitro-1,2-diphenylethanone is sourced from PubChem (CID 174848999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).