2-(3,5-difluoro-2-nitroanilino)-N,N-dimethylacetamide

C10H11F2N3O3 — CID 115507715

IUPAC2-(3,5-difluoro-2-nitroanilino)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNc1cc(F)cc(F)c1[N+](=O)[O-]
InChIInChI=1S/C10H11F2N3O3/c1-14(2)9(16)5-13-8-4-6(11)3-7(12)10(8)15(17)18/h3-4,13H,5H2,1-2H3
InChIKeyKMYIIKDQQXFRCZ-UHFFFAOYSA-N
MW259.21 g/mol
LogP1.37
Rot. Bonds4

About 2-(3,5-difluoro-2-nitroanilino)-N,N-dimethylacetamide

2-(3,5-difluoro-2-nitroanilino)-N,N-dimethylacetamide (PubChem CID 115507715) has the molecular formula C10H11F2N3O3 and a molecular weight of 259.21 g/mol. Its IUPAC name is 2-(3,5-difluoro-2-nitroanilino)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(3,5-difluoro-2-nitroanilino)-N,N-dimethylacetamide
PubChem CID115507715
Molecular FormulaC10H11F2N3O3
Molecular Weight259.21 g/mol
Exact Mass259.08
IUPAC Name2-(3,5-difluoro-2-nitroanilino)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNc1cc(F)cc(F)c1[N+](=O)[O-]
InChIInChI=1S/C10H11F2N3O3/c1-14(2)9(16)5-13-8-4-6(11)3-7(12)10(8)15(17)18/h3-4,13H,5H2,1-2H3
InChIKeyKMYIIKDQQXFRCZ-UHFFFAOYSA-N
XLogP1.37
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.21
LogP ≤ 51.37
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

2-(3-fluoro-2-nitroanilino)-N,N-dimethylacetamide
CID 60789586
2-(4-bromo-5-fluoro-2-nitroanilino)-N,N-dimethylacetamide
CID 66110858
3-(3,5-difluoro-2-nitroanilino)-N-methylpropanamide
CID 113325523
N'-(3,5-difluoro-2-nitrophenyl)-N-methylethane-1,2-diamine
CID 115509718
N,N-dimethyl-2-[3-(methylamino)-2-nitroanilino]acetamide
CID 80783693
ethyl 4-(3,5-difluoro-2-nitroanilino)butanoate
CID 115507456
3,5-difluoro-N-(3-methylbutyl)-2-nitroaniline
CID 113325498
3,5-difluoro-2-nitro-N-pentylaniline
CID 113325497
5-(3,5-difluoro-2-nitroanilino)pentanamide
CID 106239018
N'-(3,5-difluoro-2-nitrophenyl)propane-1,3-diamine
CID 115507547
N,N-dimethyl-2-(2,4,5-trifluoroanilino)acetamide
CID 62815758
6-(3,5-difluoro-2-nitroanilino)hexan-1-ol
CID 107848694

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluoro-2-nitroanilino)-N,N-dimethylacetamide?
The IUPAC name of 2-(3,5-difluoro-2-nitroanilino)-N,N-dimethylacetamide (CID 115507715) is 2-(3,5-difluoro-2-nitroanilino)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(3,5-difluoro-2-nitroanilino)-N,N-dimethylacetamide?
The canonical SMILES for 2-(3,5-difluoro-2-nitroanilino)-N,N-dimethylacetamide is CN(C)C(=O)CNc1cc(F)cc(F)c1[N+](=O)[O-].
What is the InChIKey of 2-(3,5-difluoro-2-nitroanilino)-N,N-dimethylacetamide?
The InChIKey is KMYIIKDQQXFRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3O3/c1-14(2)9(16)5-13-8-4-6(11)3-7(12)10(8)15(17)18/h3-4,13H,5H2,1-2H3.
What are the key properties of 2-(3,5-difluoro-2-nitroanilino)-N,N-dimethylacetamide?
2-(3,5-difluoro-2-nitroanilino)-N,N-dimethylacetamide has a molecular weight of 259.21 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluoro-2-nitroanilino)-N,N-dimethylacetamide is sourced from PubChem (CID 115507715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).