2-[2-(difluoromethyl)-4-nitroanilino]-N-methylacetamide

C10H11F2N3O3 — CID 55230798

IUPAC2-[2-(difluoromethyl)-4-nitroanilino]-N-methylacetamide
SMILESCNC(=O)CNc1ccc([N+](=O)[O-])cc1C(F)F
InChIInChI=1S/C10H11F2N3O3/c1-13-9(16)5-14-8-3-2-6(15(17)18)4-7(8)10(11)12/h2-4,10,14H,5H2,1H3,(H,13,16)
InChIKeyUWNPQYBAGUQMQZ-UHFFFAOYSA-N
MW259.21 g/mol
LogP1.69
Rot. Bonds5

About 2-[2-(difluoromethyl)-4-nitroanilino]-N-methylacetamide

2-[2-(difluoromethyl)-4-nitroanilino]-N-methylacetamide (PubChem CID 55230798) has the molecular formula C10H11F2N3O3 and a molecular weight of 259.21 g/mol. Its IUPAC name is 2-[2-(difluoromethyl)-4-nitroanilino]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(difluoromethyl)-4-nitroanilino]-N-methylacetamide
PubChem CID55230798
Molecular FormulaC10H11F2N3O3
Molecular Weight259.21 g/mol
Exact Mass259.08
IUPAC Name2-[2-(difluoromethyl)-4-nitroanilino]-N-methylacetamide
SMILESCNC(=O)CNc1ccc([N+](=O)[O-])cc1C(F)F
InChIInChI=1S/C10H11F2N3O3/c1-13-9(16)5-14-8-3-2-6(15(17)18)4-7(8)10(11)12/h2-4,10,14H,5H2,1H3,(H,13,16)
InChIKeyUWNPQYBAGUQMQZ-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
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

2-(2,4-dinitroanilino)-N-methylacetamide
CID 60647475
1-[2-(difluoromethyl)-4-nitroanilino]-2-methylpropan-2-ol
CID 65108659
3-[2-(difluoromethyl)-4-nitroanilino]-2-methylpropane-1,2-diol
CID 66170767
2-[2-(difluoromethyl)-4-nitroanilino]-N-methylethanesulfonamide
CID 106337659
2-[2-(difluoromethyl)-4-nitroanilino]-2-methylpropan-1-ol
CID 63750417
N-[2-(difluoromethyl)-4-nitrophenyl]-N',N'-dimethylbutane-1,4-diamine
CID 63736515
2-[[2-(difluoromethyl)-4-nitroanilino]methyl]pentanoic acid
CID 65224013
tert-butyl N-[2-[2-(difluoromethyl)-4-nitroanilino]ethyl]carbamate
CID 104933126
N-[2-(difluoromethyl)-4-nitrophenyl]-N',N'-dimethylpropane-1,3-diamine
CID 55230418
2-[2-(difluoromethyl)-4-nitroanilino]-N,N-dimethylpropanamide
CID 63735288
5-[2-(difluoromethyl)-4-nitroanilino]-4,4-dimethylpentan-1-ol
CID 106144889
2-[2-(difluoromethyl)-4-nitroanilino]-4-methylpentan-1-ol
CID 63735960

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethyl)-4-nitroanilino]-N-methylacetamide?
The IUPAC name of 2-[2-(difluoromethyl)-4-nitroanilino]-N-methylacetamide (CID 55230798) is 2-[2-(difluoromethyl)-4-nitroanilino]-N-methylacetamide.
What is the SMILES notation for 2-[2-(difluoromethyl)-4-nitroanilino]-N-methylacetamide?
The canonical SMILES for 2-[2-(difluoromethyl)-4-nitroanilino]-N-methylacetamide is CNC(=O)CNc1ccc([N+](=O)[O-])cc1C(F)F.
What is the InChIKey of 2-[2-(difluoromethyl)-4-nitroanilino]-N-methylacetamide?
The InChIKey is UWNPQYBAGUQMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3O3/c1-13-9(16)5-14-8-3-2-6(15(17)18)4-7(8)10(11)12/h2-4,10,14H,5H2,1H3,(H,13,16).
What are the key properties of 2-[2-(difluoromethyl)-4-nitroanilino]-N-methylacetamide?
2-[2-(difluoromethyl)-4-nitroanilino]-N-methylacetamide has a molecular weight of 259.21 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethyl)-4-nitroanilino]-N-methylacetamide is sourced from PubChem (CID 55230798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).