N-(3-fluorophenyl)-N-methylnitramide

C7H7FN2O2 — CID 11062819

IUPACN-(3-fluorophenyl)-N-methylnitramide
SMILESCN(c1cccc(F)c1)[N+](=O)[O-]
InChIInChI=1S/C7H7FN2O2/c1-9(10(11)12)7-4-2-3-6(8)5-7/h2-5H,1H3
InChIKeyDMOIUVWUUBAIPF-UHFFFAOYSA-N
MW170.14 g/mol
LogP1.45
Rot. Bonds2

About N-(3-fluorophenyl)-N-methylnitramide

N-(3-fluorophenyl)-N-methylnitramide (PubChem CID 11062819) has the molecular formula C7H7FN2O2 and a molecular weight of 170.14 g/mol. Its IUPAC name is N-(3-fluorophenyl)-N-methylnitramide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-N-methylnitramide
PubChem CID11062819
Molecular FormulaC7H7FN2O2
Molecular Weight170.14 g/mol
Exact Mass170.05
IUPAC NameN-(3-fluorophenyl)-N-methylnitramide
SMILESCN(c1cccc(F)c1)[N+](=O)[O-]
InChIInChI=1S/C7H7FN2O2/c1-9(10(11)12)7-4-2-3-6(8)5-7/h2-5H,1H3
InChIKeyDMOIUVWUUBAIPF-UHFFFAOYSA-N
XLogP1.45
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.14
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[3-(trifluoromethyl)phenyl]nitramide
CID 139644460
3-fluoro-N,N-dimethylaniline;methane
CID 157466440
N-(3-fluorophenyl)-N-methyl-4-nitrobenzenesulfonamide
CID 99695445
1-(3-fluorophenyl)-1-methylhydrazine
CID 53400268
3-chloro-N-(3-fluorophenyl)-N-methyl-2-nitroaniline
CID 104838971
3-N-(3-fluorophenyl)-3-N-methyl-5-nitrobenzene-1,3-diamine
CID 80817376
3-fluoro-N-(3-fluorophenyl)-N-methyl-4-nitrobenzenesulfonamide
CID 75436098
3-(3-fluoro-N-methylanilino)propanal
CID 63041284
2-amino-N-(3-fluorophenyl)-N-methyl-3-nitrobenzamide
CID 115703339
N-(chloromethyl)-3-fluoro-N-methylaniline
CID 115262926
(1S)-1-[4-(3-fluoro-N-methylanilino)-3-nitrophenyl]ethanol
CID 78938454
(1R)-1-[4-(3-fluoro-N-methylanilino)-3-nitrophenyl]ethanol
CID 63371812

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-N-methylnitramide?
The IUPAC name of N-(3-fluorophenyl)-N-methylnitramide (CID 11062819) is N-(3-fluorophenyl)-N-methylnitramide.
What is the SMILES notation for N-(3-fluorophenyl)-N-methylnitramide?
The canonical SMILES for N-(3-fluorophenyl)-N-methylnitramide is CN(c1cccc(F)c1)[N+](=O)[O-].
What is the InChIKey of N-(3-fluorophenyl)-N-methylnitramide?
The InChIKey is DMOIUVWUUBAIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2O2/c1-9(10(11)12)7-4-2-3-6(8)5-7/h2-5H,1H3.
What are the key properties of N-(3-fluorophenyl)-N-methylnitramide?
N-(3-fluorophenyl)-N-methylnitramide has a molecular weight of 170.14 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-N-methylnitramide is sourced from PubChem (CID 11062819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).