2-(3-methyl-4-nitrophenyl)acetamide

C9H10N2O3 — CID 90937348

IUPAC2-(3-methyl-4-nitrophenyl)acetamide
SMILESCc1cc(CC(N)=O)ccc1[N+](=O)[O-]
InChIInChI=1S/C9H10N2O3/c1-6-4-7(5-9(10)12)2-3-8(6)11(13)14/h2-4H,5H2,1H3,(H2,10,12)
InChIKeyUCQMUEILMHRKTD-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.93
Rot. Bonds3

About 2-(3-methyl-4-nitrophenyl)acetamide

2-(3-methyl-4-nitrophenyl)acetamide (PubChem CID 90937348) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 2-(3-methyl-4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(3-methyl-4-nitrophenyl)acetamide
PubChem CID90937348
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name2-(3-methyl-4-nitrophenyl)acetamide
SMILESCc1cc(CC(N)=O)ccc1[N+](=O)[O-]
InChIInChI=1S/C9H10N2O3/c1-6-4-7(5-9(10)12)2-3-8(6)11(13)14/h2-4H,5H2,1H3,(H2,10,12)
InChIKeyUCQMUEILMHRKTD-UHFFFAOYSA-N
XLogP0.93
TPSA86.23 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 ≤ 50.93
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

(3-methyl-4-nitrophenyl)methyl acetate
CID 70952756
1-(3-methyl-4-nitrophenyl)-2-(4-methylphenyl)ethanone
CID 61078266
3-(3-methyl-4-nitrophenyl)propanoic acid
CID 19974538
ethyl 3-(3-methyl-4-nitrophenyl)propanoate
CID 174727646
1-(5-methyl-2-nitrophenyl)-2-(4-methylphenyl)ethanone
CID 65462224
1-(3-methyl-4-nitrophenyl)-2-(3-methylphenyl)ethanone
CID 62389970
4-(5-methyl-2-nitrophenyl)but-3-ynamide
CID 170474167
2-piperidin-4-ylpropan-2-yl 2-(3-methyl-4-nitrophenyl)acetate
CID 155605334
4-(2-chloro-3-methylbutyl)-2-methyl-1-nitrobenzene
CID 63203092
2-(3-fluorophenyl)-1-(3-methyl-4-nitrophenyl)ethanone
CID 61079352
2-methyl-1-nitro-4-(phenoxymethyl)benzene
CID 156730430
2-(4-methyl-2-nitrophenoxy)acetamide
CID 8538614

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-nitrophenyl)acetamide?
The IUPAC name of 2-(3-methyl-4-nitrophenyl)acetamide (CID 90937348) is 2-(3-methyl-4-nitrophenyl)acetamide.
What is the SMILES notation for 2-(3-methyl-4-nitrophenyl)acetamide?
The canonical SMILES for 2-(3-methyl-4-nitrophenyl)acetamide is Cc1cc(CC(N)=O)ccc1[N+](=O)[O-].
What is the InChIKey of 2-(3-methyl-4-nitrophenyl)acetamide?
The InChIKey is UCQMUEILMHRKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-6-4-7(5-9(10)12)2-3-8(6)11(13)14/h2-4H,5H2,1H3,(H2,10,12).
What are the key properties of 2-(3-methyl-4-nitrophenyl)acetamide?
2-(3-methyl-4-nitrophenyl)acetamide has a molecular weight of 194.19 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-nitrophenyl)acetamide is sourced from PubChem (CID 90937348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).