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

C9H10N2O3 — CID 3389164

IUPACN-methyl-2-(4-nitrophenyl)acetamide
SMILESCNC(=O)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H10N2O3/c1-10-9(12)6-7-2-4-8(5-3-7)11(13)14/h2-5H,6H2,1H3,(H,10,12)
InChIKeyVTINDJIPKUJXNT-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.88
Rot. Bonds3

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

N-methyl-2-(4-nitrophenyl)acetamide (PubChem CID 3389164) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is N-methyl-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(4-nitrophenyl)acetamide
PubChem CID3389164
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC NameN-methyl-2-(4-nitrophenyl)acetamide
SMILESCNC(=O)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H10N2O3/c1-10-9(12)6-7-2-4-8(5-3-7)11(13)14/h2-5H,6H2,1H3,(H,10,12)
InChIKeyVTINDJIPKUJXNT-UHFFFAOYSA-N
XLogP0.88
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-[2-(methylamino)ethyl]-2-(4-nitrophenyl)acetamide
CID 62657388
N-methyl-2-[(4-nitrophenyl)methylamino]acetamide
CID 43214518
potassium 2-(4-nitrophenyl)acetate
CID 15261201
N-[(2R)-2-hydroxypropyl]-2-(4-nitrophenyl)acetamide
CID 83058575
N-(2-hydroxyethyl)-2-(4-nitrophenyl)acetamide
CID 2054852
N-cyclopropyl-2-(4-nitrophenyl)acetamide
CID 4249885
N-(4-methylpent-1-yn-3-yl)-2-(4-nitrophenyl)acetamide
CID 114202473
3-hydroxy-1-(4-nitrophenyl)butan-2-one
CID 90923881
4-(4-nitrophenyl)-3-oxobutanoic acid
CID 90710883
N-ethyl-2-[[2-(4-nitrophenyl)acetyl]amino]propanamide
CID 47112942
N-[2-(dimethylamino)-2-oxoethyl]-2-(4-nitrophenyl)acetamide
CID 9480592
N-[4-(hydroxymethyl)phenyl]-2-(4-nitrophenyl)acetamide
CID 64793021

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-methyl-2-(4-nitrophenyl)acetamide (CID 3389164) is N-methyl-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-methyl-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-methyl-2-(4-nitrophenyl)acetamide is CNC(=O)Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-methyl-2-(4-nitrophenyl)acetamide?
The InChIKey is VTINDJIPKUJXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-10-9(12)6-7-2-4-8(5-3-7)11(13)14/h2-5H,6H2,1H3,(H,10,12).
What are the key properties of N-methyl-2-(4-nitrophenyl)acetamide?
N-methyl-2-(4-nitrophenyl)acetamide has a molecular weight of 194.19 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 3389164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).