N-(2,6-difluoro-3-nitrophenyl)-N-methylacetamide

C9H8F2N2O3 — CID 134413313

IUPACN-(2,6-difluoro-3-nitrophenyl)-N-methylacetamide
SMILESCC(=O)N(C)c1c(F)ccc([N+](=O)[O-])c1F
InChIInChI=1S/C9H8F2N2O3/c1-5(14)12(2)9-6(10)3-4-7(8(9)11)13(15)16/h3-4H,1-2H3
InChIKeyNUENZKTWAJUVSP-UHFFFAOYSA-N
MW230.17 g/mol
LogP1.86
Rot. Bonds2

About N-(2,6-difluoro-3-nitrophenyl)-N-methylacetamide

N-(2,6-difluoro-3-nitrophenyl)-N-methylacetamide (PubChem CID 134413313) has the molecular formula C9H8F2N2O3 and a molecular weight of 230.17 g/mol. Its IUPAC name is N-(2,6-difluoro-3-nitrophenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(2,6-difluoro-3-nitrophenyl)-N-methylacetamide
PubChem CID134413313
Molecular FormulaC9H8F2N2O3
Molecular Weight230.17 g/mol
Exact Mass230.05
IUPAC NameN-(2,6-difluoro-3-nitrophenyl)-N-methylacetamide
SMILESCC(=O)N(C)c1c(F)ccc([N+](=O)[O-])c1F
InChIInChI=1S/C9H8F2N2O3/c1-5(14)12(2)9-6(10)3-4-7(8(9)11)13(15)16/h3-4H,1-2H3
InChIKeyNUENZKTWAJUVSP-UHFFFAOYSA-N
XLogP1.86
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.17
LogP ≤ 51.86
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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Related Compounds

N-ethyl-2,6-difluoro-N-methyl-3-nitroaniline
CID 134441637
tert-butyl N-(2,6-difluoro-3-nitrophenyl)-N-ethylcarbamate
CID 134413306
N-(3,4-difluoro-2-methyl-5-nitrophenyl)-N-methylacetamide
CID 164532233
tert-butyl N-(2,6-difluoro-3-nitrophenyl)-N-(2-fluoroethyl)carbamate
CID 134413311
2,6-difluoro-N-methyl-3-nitro-N-propylbenzamide
CID 113252560
2,6-difluoro-N-(2-hydroxyethyl)-N-methyl-3-nitrobenzamide
CID 79773192
2,6-difluoro-3-nitrobenzamide
CID 2780101
1-(3-fluoro-2-hydroxy-4-nitrophenyl)ethanone
CID 171021470
2-(2,6-difluoro-3-nitrophenyl)propanoic acid
CID 57371352
1-(2,6-difluoro-3-nitrophenyl)ethanimine
CID 118580071
2,6-difluoro-N-methyl-3-nitro-N-prop-2-enylbenzamide
CID 104956238
N-(1-chloropropan-2-yl)-2,6-difluoro-N-methyl-3-nitrobenzamide
CID 113426443

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluoro-3-nitrophenyl)-N-methylacetamide?
The IUPAC name of N-(2,6-difluoro-3-nitrophenyl)-N-methylacetamide (CID 134413313) is N-(2,6-difluoro-3-nitrophenyl)-N-methylacetamide.
What is the SMILES notation for N-(2,6-difluoro-3-nitrophenyl)-N-methylacetamide?
The canonical SMILES for N-(2,6-difluoro-3-nitrophenyl)-N-methylacetamide is CC(=O)N(C)c1c(F)ccc([N+](=O)[O-])c1F.
What is the InChIKey of N-(2,6-difluoro-3-nitrophenyl)-N-methylacetamide?
The InChIKey is NUENZKTWAJUVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2O3/c1-5(14)12(2)9-6(10)3-4-7(8(9)11)13(15)16/h3-4H,1-2H3.
What are the key properties of N-(2,6-difluoro-3-nitrophenyl)-N-methylacetamide?
N-(2,6-difluoro-3-nitrophenyl)-N-methylacetamide has a molecular weight of 230.17 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluoro-3-nitrophenyl)-N-methylacetamide is sourced from PubChem (CID 134413313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).