2-fluoro-2,2-dinitro-N-phenylacetamide

C8H6FN3O5 — CID 150962851

IUPAC2-fluoro-2,2-dinitro-N-phenylacetamide
SMILESO=C(Nc1ccccc1)C(F)([N+](=O)[O-])[N+](=O)[O-]
InChIInChI=1S/C8H6FN3O5/c9-8(11(14)15,12(16)17)7(13)10-6-4-2-1-3-5-6/h1-5H,(H,10,13)
InChIKeyLMLUQRNTRKDKHH-UHFFFAOYSA-N
MW243.15 g/mol
LogP0.80
Rot. Bonds4

About 2-fluoro-2,2-dinitro-N-phenylacetamide

2-fluoro-2,2-dinitro-N-phenylacetamide (PubChem CID 150962851) has the molecular formula C8H6FN3O5 and a molecular weight of 243.15 g/mol. Its IUPAC name is 2-fluoro-2,2-dinitro-N-phenylacetamide.

Molecular Properties

Compound Name2-fluoro-2,2-dinitro-N-phenylacetamide
PubChem CID150962851
Molecular FormulaC8H6FN3O5
Molecular Weight243.15 g/mol
Exact Mass243.03
IUPAC Name2-fluoro-2,2-dinitro-N-phenylacetamide
SMILESO=C(Nc1ccccc1)C(F)([N+](=O)[O-])[N+](=O)[O-]
InChIInChI=1S/C8H6FN3O5/c9-8(11(14)15,12(16)17)7(13)10-6-4-2-1-3-5-6/h1-5H,(H,10,13)
InChIKeyLMLUQRNTRKDKHH-UHFFFAOYSA-N
XLogP0.80
TPSA115.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.15
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,2,3,3,4,4,4-heptafluoro-N-phenylbutanamide
CID 9556
2,2-dichloro-N,N'-diphenylpropanediamide
CID 14712481
2-fluoro-2-methyl-N-phenylbutanamide
CID 132540278
2,2,2-trifluoro-N-(4-nitrophenyl)acetamide
CID 616367
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-phenylnonanamide
CID 3421010
2-bromo-4,4,4-trifluoro-N,2-diphenylbutanamide
CID 138964215
N-[4-(benzenesulfonyl)phenyl]-2,2,2-trifluoroacetamide
CID 131852564
2,2-difluoro-2-(4-methylphenyl)-N-phenylacetamide
CID 102584725
2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide
CID 5013683
2-amino-2-methyl-N-phenylpropanamide;hydrochloride
CID 53409029
2,2-difluoro-2-naphthalen-2-yl-N-phenylacetamide
CID 102584722
2,2,2-trifluoro-N-[4-[(E)-2-phenylethenyl]phenyl]acetamide
CID 141369710

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2,2-dinitro-N-phenylacetamide?
The IUPAC name of 2-fluoro-2,2-dinitro-N-phenylacetamide (CID 150962851) is 2-fluoro-2,2-dinitro-N-phenylacetamide.
What is the SMILES notation for 2-fluoro-2,2-dinitro-N-phenylacetamide?
The canonical SMILES for 2-fluoro-2,2-dinitro-N-phenylacetamide is O=C(Nc1ccccc1)C(F)([N+](=O)[O-])[N+](=O)[O-].
What is the InChIKey of 2-fluoro-2,2-dinitro-N-phenylacetamide?
The InChIKey is LMLUQRNTRKDKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3O5/c9-8(11(14)15,12(16)17)7(13)10-6-4-2-1-3-5-6/h1-5H,(H,10,13).
What are the key properties of 2-fluoro-2,2-dinitro-N-phenylacetamide?
2-fluoro-2,2-dinitro-N-phenylacetamide has a molecular weight of 243.15 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2,2-dinitro-N-phenylacetamide is sourced from PubChem (CID 150962851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).