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

C9H9FN2O3 — CID 24790

IUPAC2-fluoro-N-methyl-N-(4-nitrophenyl)acetamide
SMILESCN(C(=O)CF)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H9FN2O3/c1-11(9(13)6-10)7-2-4-8(5-3-7)12(14)15/h2-5H,6H2,1H3
InChIKeyIKWVBWXAHHTTCR-UHFFFAOYSA-N
MW212.18 g/mol
LogP1.53
Rot. Bonds3

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

2-fluoro-N-methyl-N-(4-nitrophenyl)acetamide (PubChem CID 24790) has the molecular formula C9H9FN2O3 and a molecular weight of 212.18 g/mol. Its IUPAC name is 2-fluoro-N-methyl-N-(4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-N-(4-nitrophenyl)acetamide
PubChem CID24790
Molecular FormulaC9H9FN2O3
Molecular Weight212.18 g/mol
Exact Mass212.06
IUPAC Name2-fluoro-N-methyl-N-(4-nitrophenyl)acetamide
SMILESCN(C(=O)CF)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H9FN2O3/c1-11(9(13)6-10)7-2-4-8(5-3-7)12(14)15/h2-5H,6H2,1H3
InChIKeyIKWVBWXAHHTTCR-UHFFFAOYSA-N
XLogP1.53
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.18
LogP ≤ 51.53
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 2-fluoro-N-methyl-N-(4-nitrophenyl)acetamide?
The IUPAC name of 2-fluoro-N-methyl-N-(4-nitrophenyl)acetamide (CID 24790) is 2-fluoro-N-methyl-N-(4-nitrophenyl)acetamide.
What is the SMILES notation for 2-fluoro-N-methyl-N-(4-nitrophenyl)acetamide?
The canonical SMILES for 2-fluoro-N-methyl-N-(4-nitrophenyl)acetamide is CN(C(=O)CF)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-fluoro-N-methyl-N-(4-nitrophenyl)acetamide?
The InChIKey is IKWVBWXAHHTTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O3/c1-11(9(13)6-10)7-2-4-8(5-3-7)12(14)15/h2-5H,6H2,1H3.
What are the key properties of 2-fluoro-N-methyl-N-(4-nitrophenyl)acetamide?
2-fluoro-N-methyl-N-(4-nitrophenyl)acetamide has a molecular weight of 212.18 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-N-(4-nitrophenyl)acetamide is sourced from PubChem (CID 24790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).