N-(2-nitrophenyl)-2-(4-nitrophenyl)acetamide

C14H11N3O5 — CID 3300746

IUPACN-(2-nitrophenyl)-2-(4-nitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H11N3O5/c18-14(9-10-5-7-11(8-6-10)16(19)20)15-12-3-1-2-4-13(12)17(21)22/h1-8H,9H2,(H,15,18)
InChIKeyXCESXLRRSVBGOQ-UHFFFAOYSA-N
MW301.26 g/mol
LogP2.68
Rot. Bonds5

About N-(2-nitrophenyl)-2-(4-nitrophenyl)acetamide

N-(2-nitrophenyl)-2-(4-nitrophenyl)acetamide (PubChem CID 3300746) has the molecular formula C14H11N3O5 and a molecular weight of 301.26 g/mol. Its IUPAC name is N-(2-nitrophenyl)-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(2-nitrophenyl)-2-(4-nitrophenyl)acetamide
PubChem CID3300746
Molecular FormulaC14H11N3O5
Molecular Weight301.26 g/mol
Exact Mass301.07
IUPAC NameN-(2-nitrophenyl)-2-(4-nitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H11N3O5/c18-14(9-10-5-7-11(8-6-10)16(19)20)15-12-3-1-2-4-13(12)17(21)22/h1-8H,9H2,(H,15,18)
InChIKeyXCESXLRRSVBGOQ-UHFFFAOYSA-N
XLogP2.68
TPSA115.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-(4-aminophenyl)-N-(2-nitrophenyl)acetamide
CID 43708294
N,N'-bis(2-nitrophenyl)propanediamide
CID 3819304
2-(4-nitrophenyl)-N-(2-propylphenyl)acetamide
CID 31868499
2-cyano-N-(2-nitrophenyl)acetamide
CID 2792625
N-(3-chloro-2-methylphenyl)-2-(4-nitrophenyl)acetamide
CID 772340
N-(2-chloro-3-pyridinyl)-2-(4-nitrophenyl)acetamide
CID 5216204
2-(4-nitrophenyl)-N-(2-propoxyphenyl)acetamide
CID 30728355
N-benzyl-2-[[2-(4-nitrophenyl)acetyl]amino]benzamide
CID 3656947
3-chloro-N-(2-nitrophenyl)propanamide
CID 4318991
1-(2-nitrophenyl)-2-(4-nitrophenyl)ethanone
CID 12844789
2-(2-methoxyphenyl)-N-(2-nitrophenyl)acetamide
CID 3253389
2-(4-chlorophenyl)-N-[(2-nitrophenyl)carbamothioyl]acetamide
CID 2893881

Frequently Asked Questions

What is the IUPAC name of N-(2-nitrophenyl)-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-(2-nitrophenyl)-2-(4-nitrophenyl)acetamide (CID 3300746) is N-(2-nitrophenyl)-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-(2-nitrophenyl)-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-(2-nitrophenyl)-2-(4-nitrophenyl)acetamide is O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(2-nitrophenyl)-2-(4-nitrophenyl)acetamide?
The InChIKey is XCESXLRRSVBGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O5/c18-14(9-10-5-7-11(8-6-10)16(19)20)15-12-3-1-2-4-13(12)17(21)22/h1-8H,9H2,(H,15,18).
What are the key properties of N-(2-nitrophenyl)-2-(4-nitrophenyl)acetamide?
N-(2-nitrophenyl)-2-(4-nitrophenyl)acetamide has a molecular weight of 301.26 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-nitrophenyl)-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 3300746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).