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

C10H11F2N3O3 — CID 113325523

IUPAC3-(3,5-difluoro-2-nitroanilino)-N-methylpropanamide
SMILESCNC(=O)CCNc1cc(F)cc(F)c1[N+](=O)[O-]
InChIInChI=1S/C10H11F2N3O3/c1-13-9(16)2-3-14-8-5-6(11)4-7(12)10(8)15(17)18/h4-5,14H,2-3H2,1H3,(H,13,16)
InChIKeySLHUBGDAKCNFHP-UHFFFAOYSA-N
MW259.21 g/mol
LogP1.42
Rot. Bonds5

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

3-(3,5-difluoro-2-nitroanilino)-N-methylpropanamide (PubChem CID 113325523) has the molecular formula C10H11F2N3O3 and a molecular weight of 259.21 g/mol. Its IUPAC name is 3-(3,5-difluoro-2-nitroanilino)-N-methylpropanamide.

Molecular Properties

Compound Name3-(3,5-difluoro-2-nitroanilino)-N-methylpropanamide
PubChem CID113325523
Molecular FormulaC10H11F2N3O3
Molecular Weight259.21 g/mol
Exact Mass259.08
IUPAC Name3-(3,5-difluoro-2-nitroanilino)-N-methylpropanamide
SMILESCNC(=O)CCNc1cc(F)cc(F)c1[N+](=O)[O-]
InChIInChI=1S/C10H11F2N3O3/c1-13-9(16)2-3-14-8-5-6(11)4-7(12)10(8)15(17)18/h4-5,14H,2-3H2,1H3,(H,13,16)
InChIKeySLHUBGDAKCNFHP-UHFFFAOYSA-N
XLogP1.42
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.21
LogP ≤ 51.42
H-Bond Donors ≤ 52
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

N'-(3,5-difluoro-2-nitrophenyl)-N-methylethane-1,2-diamine
CID 115509718
5-(3,5-difluoro-2-nitroanilino)pentanamide
CID 106239018
3,5-difluoro-2-nitro-N-pentylaniline
CID 113325497
3,5-difluoro-N-(3-methylbutyl)-2-nitroaniline
CID 113325498
ethyl 4-(3,5-difluoro-2-nitroanilino)butanoate
CID 115507456
N'-(3,5-difluoro-2-nitrophenyl)propane-1,3-diamine
CID 115507547
6-(3,5-difluoro-2-nitroanilino)hexan-1-ol
CID 107848694
N'-(3,5-difluoro-2-nitrophenyl)butane-1,4-diamine
CID 113325462
2-(3,5-difluoro-2-nitroanilino)-N,N-dimethylacetamide
CID 115507715
1-[2-(3,5-difluoro-2-nitroanilino)ethylamino]propan-2-ol
CID 104594423
2-(3,5-difluoro-2-nitroanilino)ethanesulfonamide
CID 115507734
3,5-difluoro-2-nitro-N-(2-phenylethyl)aniline
CID 115507690

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluoro-2-nitroanilino)-N-methylpropanamide?
The IUPAC name of 3-(3,5-difluoro-2-nitroanilino)-N-methylpropanamide (CID 113325523) is 3-(3,5-difluoro-2-nitroanilino)-N-methylpropanamide.
What is the SMILES notation for 3-(3,5-difluoro-2-nitroanilino)-N-methylpropanamide?
The canonical SMILES for 3-(3,5-difluoro-2-nitroanilino)-N-methylpropanamide is CNC(=O)CCNc1cc(F)cc(F)c1[N+](=O)[O-].
What is the InChIKey of 3-(3,5-difluoro-2-nitroanilino)-N-methylpropanamide?
The InChIKey is SLHUBGDAKCNFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3O3/c1-13-9(16)2-3-14-8-5-6(11)4-7(12)10(8)15(17)18/h4-5,14H,2-3H2,1H3,(H,13,16).
What are the key properties of 3-(3,5-difluoro-2-nitroanilino)-N-methylpropanamide?
3-(3,5-difluoro-2-nitroanilino)-N-methylpropanamide has a molecular weight of 259.21 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluoro-2-nitroanilino)-N-methylpropanamide is sourced from PubChem (CID 113325523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).