N-(2-fluoro-4-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

C12H15FN2O4 — CID 112605418

IUPACN-(2-fluoro-4-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)Nc1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C12H15FN2O4/c1-12(2,3)19-7-11(16)14-10-5-4-8(15(17)18)6-9(10)13/h4-6H,7H2,1-3H3,(H,14,16)
InChIKeyKOLJYAHWKWXCGR-UHFFFAOYSA-N
MW270.26 g/mol
LogP2.49
Rot. Bonds4

About N-(2-fluoro-4-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

N-(2-fluoro-4-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 112605418) has the molecular formula C12H15FN2O4 and a molecular weight of 270.26 g/mol. Its IUPAC name is N-(2-fluoro-4-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(2-fluoro-4-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID112605418
Molecular FormulaC12H15FN2O4
Molecular Weight270.26 g/mol
Exact Mass270.10
IUPAC NameN-(2-fluoro-4-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)Nc1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C12H15FN2O4/c1-12(2,3)19-7-11(16)14-10-5-4-8(15(17)18)6-9(10)13/h4-6H,7H2,1-3H3,(H,14,16)
InChIKeyKOLJYAHWKWXCGR-UHFFFAOYSA-N
XLogP2.49
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 52.49
H-Bond Donors ≤ 51
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

N-(2-hydroxy-5-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103944777
N-(2-methoxy-5-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949950
N-(4-hydroxy-2-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604610
N-(4-bromo-2-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604592
4-amino-N-(2-fluoro-4-nitrophenyl)-3-methoxybutanamide
CID 103155684
N-(2-fluoro-4-nitrophenyl)-2-piperidin-4-yloxyacetamide
CID 63877274
tert-butyl 4-[(2-fluoro-4-nitrophenyl)carbamoyl]piperidine-1-carboxylate
CID 164719670
N-(2-bromo-4-methylphenyl)-2-(2-fluoro-4-nitrophenoxy)acetamide
CID 55733652
N-(2,2-dimethylpropyl)-2-fluoro-4-nitroaniline
CID 61167832
2-(2-fluoro-4-nitroanilino)-2-methylpropanoic acid
CID 61265723
1-(2-fluoro-4-nitrophenyl)-3-(2,2,2-trifluoroethyl)urea
CID 116655173
3-(2-fluoro-4-nitroanilino)-3-methylbutanoic acid
CID 64700785

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-(2-fluoro-4-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 112605418) is N-(2-fluoro-4-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-(2-fluoro-4-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-(2-fluoro-4-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is CC(C)(C)OCC(=O)Nc1ccc([N+](=O)[O-])cc1F.
What is the InChIKey of N-(2-fluoro-4-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is KOLJYAHWKWXCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O4/c1-12(2,3)19-7-11(16)14-10-5-4-8(15(17)18)6-9(10)13/h4-6H,7H2,1-3H3,(H,14,16).
What are the key properties of N-(2-fluoro-4-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-(2-fluoro-4-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 270.26 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 112605418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).