N-methyl-N-(3-nitrophenyl)acetamide

C9H10N2O3 — CID 676602

IUPACN-methyl-N-(3-nitrophenyl)acetamide
SMILESCC(=O)N(C)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C9H10N2O3/c1-7(12)10(2)8-4-3-5-9(6-8)11(13)14/h3-6H,1-2H3
InChIKeyURTKKUOKOMUICY-UHFFFAOYSA-N
MW194.19 g/mol
LogP1.58
Rot. Bonds2

About N-methyl-N-(3-nitrophenyl)acetamide

N-methyl-N-(3-nitrophenyl)acetamide (PubChem CID 676602) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is N-methyl-N-(3-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(3-nitrophenyl)acetamide
PubChem CID676602
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC NameN-methyl-N-(3-nitrophenyl)acetamide
SMILESCC(=O)N(C)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C9H10N2O3/c1-7(12)10(2)8-4-3-5-9(6-8)11(13)14/h3-6H,1-2H3
InChIKeyURTKKUOKOMUICY-UHFFFAOYSA-N
XLogP1.58
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.58
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-nitrophenyl)acetamide?
The IUPAC name of N-methyl-N-(3-nitrophenyl)acetamide (CID 676602) is N-methyl-N-(3-nitrophenyl)acetamide.
What is the SMILES notation for N-methyl-N-(3-nitrophenyl)acetamide?
The canonical SMILES for N-methyl-N-(3-nitrophenyl)acetamide is CC(=O)N(C)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-methyl-N-(3-nitrophenyl)acetamide?
The InChIKey is URTKKUOKOMUICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-7(12)10(2)8-4-3-5-9(6-8)11(13)14/h3-6H,1-2H3.
What are the key properties of N-methyl-N-(3-nitrophenyl)acetamide?
N-methyl-N-(3-nitrophenyl)acetamide has a molecular weight of 194.19 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-nitrophenyl)acetamide is sourced from PubChem (CID 676602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).