2-(5-fluoro-2-nitrophenoxy)-N-methyl-N-propan-2-ylacetamide

C12H15FN2O4 — CID 78911810

IUPAC2-(5-fluoro-2-nitrophenoxy)-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)COc1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H15FN2O4/c1-8(2)14(3)12(16)7-19-11-6-9(13)4-5-10(11)15(17)18/h4-6,8H,7H2,1-3H3
InChIKeyZJZRQWRXBXLHDF-UHFFFAOYSA-N
MW270.26 g/mol
LogP1.98
Rot. Bonds5

About 2-(5-fluoro-2-nitrophenoxy)-N-methyl-N-propan-2-ylacetamide

2-(5-fluoro-2-nitrophenoxy)-N-methyl-N-propan-2-ylacetamide (PubChem CID 78911810) has the molecular formula C12H15FN2O4 and a molecular weight of 270.26 g/mol. Its IUPAC name is 2-(5-fluoro-2-nitrophenoxy)-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(5-fluoro-2-nitrophenoxy)-N-methyl-N-propan-2-ylacetamide
PubChem CID78911810
Molecular FormulaC12H15FN2O4
Molecular Weight270.26 g/mol
Exact Mass270.10
IUPAC Name2-(5-fluoro-2-nitrophenoxy)-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)COc1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H15FN2O4/c1-8(2)14(3)12(16)7-19-11-6-9(13)4-5-10(11)15(17)18/h4-6,8H,7H2,1-3H3
InChIKeyZJZRQWRXBXLHDF-UHFFFAOYSA-N
XLogP1.98
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 51.98
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-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 24570004
2-(5-fluoro-2-nitrophenoxy)-N-methyl-N-phenylacetamide
CID 2690888
N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-(5-methyl-2-nitrophenoxy)acetamide
CID 51288135
N-[(4-ethylphenyl)methyl]-2-(5-fluoro-2-nitrophenoxy)-N-methylacetamide
CID 60608890
2-(5-fluoro-2-nitrophenoxy)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 87018491
2-(5-fluoro-2-nitrophenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 8873483
2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-methyl-N-propan-2-ylacetamide
CID 107698259
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(5-fluoro-2-nitrophenoxy)-N-methylacetamide
CID 2638344
2-(5-fluoro-2-nitrophenoxy)-1-(2-methoxyphenyl)ethanone
CID 8873297
1-(5-fluoro-2-nitrophenoxy)-2-methylpropan-2-ol
CID 60879350
1-cyclopropyl-2-(5-fluoro-2-nitrophenoxy)ethanone
CID 63903263
5-[2-[methyl(propan-2-yl)amino]-2-oxoethoxy]-2-nitrobenzoic acid
CID 102739673

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-nitrophenoxy)-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(5-fluoro-2-nitrophenoxy)-N-methyl-N-propan-2-ylacetamide (CID 78911810) is 2-(5-fluoro-2-nitrophenoxy)-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(5-fluoro-2-nitrophenoxy)-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(5-fluoro-2-nitrophenoxy)-N-methyl-N-propan-2-ylacetamide is CC(C)N(C)C(=O)COc1cc(F)ccc1[N+](=O)[O-].
What is the InChIKey of 2-(5-fluoro-2-nitrophenoxy)-N-methyl-N-propan-2-ylacetamide?
The InChIKey is ZJZRQWRXBXLHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O4/c1-8(2)14(3)12(16)7-19-11-6-9(13)4-5-10(11)15(17)18/h4-6,8H,7H2,1-3H3.
What are the key properties of 2-(5-fluoro-2-nitrophenoxy)-N-methyl-N-propan-2-ylacetamide?
2-(5-fluoro-2-nitrophenoxy)-N-methyl-N-propan-2-ylacetamide has a molecular weight of 270.26 g/mol, XLogP of 1.98, 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-propan-2-ylacetamide is sourced from PubChem (CID 78911810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).