2-(5-fluoro-2-nitrophenoxy)-N-methyl-N-phenylacetamide

C15H13FN2O4 — CID 2690888

IUPAC2-(5-fluoro-2-nitrophenoxy)-N-methyl-N-phenylacetamide
SMILESCN(C(=O)COc1cc(F)ccc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C15H13FN2O4/c1-17(12-5-3-2-4-6-12)15(19)10-22-14-9-11(16)7-8-13(14)18(20)21/h2-9H,10H2,1H3
InChIKeyXIMWHVNCYNEZTE-UHFFFAOYSA-N
MW304.28 g/mol
LogP2.78
Rot. Bonds5

About 2-(5-fluoro-2-nitrophenoxy)-N-methyl-N-phenylacetamide

2-(5-fluoro-2-nitrophenoxy)-N-methyl-N-phenylacetamide (PubChem CID 2690888) has the molecular formula C15H13FN2O4 and a molecular weight of 304.28 g/mol. Its IUPAC name is 2-(5-fluoro-2-nitrophenoxy)-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(5-fluoro-2-nitrophenoxy)-N-methyl-N-phenylacetamide
PubChem CID2690888
Molecular FormulaC15H13FN2O4
Molecular Weight304.28 g/mol
Exact Mass304.09
IUPAC Name2-(5-fluoro-2-nitrophenoxy)-N-methyl-N-phenylacetamide
SMILESCN(C(=O)COc1cc(F)ccc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C15H13FN2O4/c1-17(12-5-3-2-4-6-12)15(19)10-22-14-9-11(16)7-8-13(14)18(20)21/h2-9H,10H2,1H3
InChIKeyXIMWHVNCYNEZTE-UHFFFAOYSA-N
XLogP2.78
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(5-fluoro-2-nitrophenoxy)-N-methyl-N-propan-2-ylacetamide
CID 78911810
2-(5-fluoro-2-nitrophenoxy)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 24570004
N-[(4-ethylphenyl)methyl]-2-(5-fluoro-2-nitrophenoxy)-N-methylacetamide
CID 60608890
2-(5-fluoro-2-nitrophenoxy)-1-(2-methoxyphenyl)ethanone
CID 8873297
2-(5-fluoro-2-nitrophenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 8873483
1-cyclopropyl-2-(5-fluoro-2-nitrophenoxy)ethanone
CID 63903263
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(5-fluoro-2-nitrophenoxy)-N-methylacetamide
CID 2638344
2-(3-fluorophenoxy)-N-methyl-N-phenylacetamide
CID 78762284
2-(5-fluoro-2-nitrophenoxy)-N-(phenylcarbamoyl)acetamide
CID 26814603
2-(5-fluoro-2-nitrophenoxy)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 87018491
1-(5-fluoro-2-nitrophenoxy)-2-methylpropan-2-ol
CID 60879350
N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 7846208

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-nitrophenoxy)-N-methyl-N-phenylacetamide?
The IUPAC name of 2-(5-fluoro-2-nitrophenoxy)-N-methyl-N-phenylacetamide (CID 2690888) is 2-(5-fluoro-2-nitrophenoxy)-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-(5-fluoro-2-nitrophenoxy)-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-(5-fluoro-2-nitrophenoxy)-N-methyl-N-phenylacetamide is CN(C(=O)COc1cc(F)ccc1[N+](=O)[O-])c1ccccc1.
What is the InChIKey of 2-(5-fluoro-2-nitrophenoxy)-N-methyl-N-phenylacetamide?
The InChIKey is XIMWHVNCYNEZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O4/c1-17(12-5-3-2-4-6-12)15(19)10-22-14-9-11(16)7-8-13(14)18(20)21/h2-9H,10H2,1H3.
What are the key properties of 2-(5-fluoro-2-nitrophenoxy)-N-methyl-N-phenylacetamide?
2-(5-fluoro-2-nitrophenoxy)-N-methyl-N-phenylacetamide has a molecular weight of 304.28 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-nitrophenoxy)-N-methyl-N-phenylacetamide is sourced from PubChem (CID 2690888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).