N-(methylcarbamoyl)-2-[4-nitro-2-(trifluoromethyl)phenoxy]acetamide

C11H10F3N3O5 — CID 48923966

IUPACN-(methylcarbamoyl)-2-[4-nitro-2-(trifluoromethyl)phenoxy]acetamide
SMILESCNC(=O)NC(=O)COc1ccc([N+](=O)[O-])cc1C(F)(F)F
InChIInChI=1S/C11H10F3N3O5/c1-15-10(19)16-9(18)5-22-8-3-2-6(17(20)21)4-7(8)11(12,13)14/h2-4H,5H2,1H3,(H2,15,16,18,19)
InChIKeyDMCNROCVLZNOME-UHFFFAOYSA-N
MW321.21 g/mol
LogP1.45
Rot. Bonds4

About N-(methylcarbamoyl)-2-[4-nitro-2-(trifluoromethyl)phenoxy]acetamide

N-(methylcarbamoyl)-2-[4-nitro-2-(trifluoromethyl)phenoxy]acetamide (PubChem CID 48923966) has the molecular formula C11H10F3N3O5 and a molecular weight of 321.21 g/mol. Its IUPAC name is N-(methylcarbamoyl)-2-[4-nitro-2-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(methylcarbamoyl)-2-[4-nitro-2-(trifluoromethyl)phenoxy]acetamide
PubChem CID48923966
Molecular FormulaC11H10F3N3O5
Molecular Weight321.21 g/mol
Exact Mass321.06
IUPAC NameN-(methylcarbamoyl)-2-[4-nitro-2-(trifluoromethyl)phenoxy]acetamide
SMILESCNC(=O)NC(=O)COc1ccc([N+](=O)[O-])cc1C(F)(F)F
InChIInChI=1S/C11H10F3N3O5/c1-15-10(19)16-9(18)5-22-8-3-2-6(17(20)21)4-7(8)11(12,13)14/h2-4H,5H2,1H3,(H2,15,16,18,19)
InChIKeyDMCNROCVLZNOME-UHFFFAOYSA-N
XLogP1.45
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-methylphenyl)-2-[4-nitro-2-(trifluoromethyl)phenoxy]acetamide
CID 47073931
N-heptan-2-yl-2-[4-nitro-2-(trifluoromethyl)phenoxy]acetamide
CID 60586269
N-(5-chloro-2-methoxyphenyl)-2-[4-nitro-2-(trifluoromethyl)phenoxy]acetamide
CID 47771816
N-(1-cyano-1-cyclopropylethyl)-2-[4-nitro-2-(trifluoromethyl)phenoxy]acetamide
CID 47771874
2-(2-chloro-4-nitrophenoxy)-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 40708016
2-[2-(hydroxymethyl)-4-nitrophenoxy]-N-methylacetamide
CID 43472899
2-(2-chloro-4-nitrophenoxy)-N-(propan-2-ylcarbamoyl)acetamide
CID 4216081
2-methyl-1-[4-nitro-2-(trifluoromethyl)phenoxy]butan-2-amine
CID 64573643
2-[2-(1-hydroxyethyl)-4-nitrophenoxy]-N-methylacetamide
CID 116541811
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 26217063
2-(2-chloro-4-nitrophenoxy)-N-(2-methylpropylcarbamoyl)acetamide
CID 7509223
tert-butyl N-[4-nitro-2-(trifluoromethyl)phenoxy]carbamate
CID 58863505

Frequently Asked Questions

What is the IUPAC name of N-(methylcarbamoyl)-2-[4-nitro-2-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-(methylcarbamoyl)-2-[4-nitro-2-(trifluoromethyl)phenoxy]acetamide (CID 48923966) is N-(methylcarbamoyl)-2-[4-nitro-2-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-(methylcarbamoyl)-2-[4-nitro-2-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-(methylcarbamoyl)-2-[4-nitro-2-(trifluoromethyl)phenoxy]acetamide is CNC(=O)NC(=O)COc1ccc([N+](=O)[O-])cc1C(F)(F)F.
What is the InChIKey of N-(methylcarbamoyl)-2-[4-nitro-2-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is DMCNROCVLZNOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O5/c1-15-10(19)16-9(18)5-22-8-3-2-6(17(20)21)4-7(8)11(12,13)14/h2-4H,5H2,1H3,(H2,15,16,18,19).
What are the key properties of N-(methylcarbamoyl)-2-[4-nitro-2-(trifluoromethyl)phenoxy]acetamide?
N-(methylcarbamoyl)-2-[4-nitro-2-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 321.21 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylcarbamoyl)-2-[4-nitro-2-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 48923966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).