2-amino-N-(2,4-difluoro-6-nitrophenyl)-2-methylpropanamide

C10H11F2N3O3 — CID 81309738

IUPAC2-amino-N-(2,4-difluoro-6-nitrophenyl)-2-methylpropanamide
SMILESCC(C)(N)C(=O)Nc1c(F)cc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C10H11F2N3O3/c1-10(2,13)9(16)14-8-6(12)3-5(11)4-7(8)15(17)18/h3-4H,13H2,1-2H3,(H,14,16)
InChIKeyZWTGLZCGFXSEHF-UHFFFAOYSA-N
MW259.21 g/mol
LogP1.55
Rot. Bonds3

About 2-amino-N-(2,4-difluoro-6-nitrophenyl)-2-methylpropanamide

2-amino-N-(2,4-difluoro-6-nitrophenyl)-2-methylpropanamide (PubChem CID 81309738) has the molecular formula C10H11F2N3O3 and a molecular weight of 259.21 g/mol. Its IUPAC name is 2-amino-N-(2,4-difluoro-6-nitrophenyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-(2,4-difluoro-6-nitrophenyl)-2-methylpropanamide
PubChem CID81309738
Molecular FormulaC10H11F2N3O3
Molecular Weight259.21 g/mol
Exact Mass259.08
IUPAC Name2-amino-N-(2,4-difluoro-6-nitrophenyl)-2-methylpropanamide
SMILESCC(C)(N)C(=O)Nc1c(F)cc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C10H11F2N3O3/c1-10(2,13)9(16)14-8-6(12)3-5(11)4-7(8)15(17)18/h3-4H,13H2,1-2H3,(H,14,16)
InChIKeyZWTGLZCGFXSEHF-UHFFFAOYSA-N
XLogP1.55
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.21
LogP ≤ 51.55
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-(2,4-difluoro-6-nitrophenyl)-2,2,2-trifluoroacetamide
CID 81313213
2-amino-N-(2,4-difluoro-6-nitrophenyl)acetamide
CID 81310994
N-(2,2-dimethylpropyl)-2,4-difluoro-6-nitroaniline
CID 81310142
2-bromo-N-(2,4-difluoro-6-nitrophenyl)-3-methylbutanamide
CID 81309901
2-hydroxyethyl N-(2,4-difluoro-6-nitrophenyl)carbamate
CID 81312067
2-[(2,4-difluoro-6-nitroanilino)methyl]-2-ethylbutan-1-ol
CID 81419283
2-cyano-N-(2,4-difluoro-6-nitrophenyl)acetamide
CID 83298314
N-(2,4-difluoro-6-nitrophenyl)-2-(propylamino)acetamide
CID 81310098
2,5-dibromo-N-(2,4-difluoro-6-nitrophenyl)thiophene-3-carboxamide
CID 107962301
4-amino-N-(2,4-difluoro-6-nitrophenyl)-1,2,5-oxadiazole-3-carboxamide
CID 81310187
3-amino-N-(2,4-difluoro-6-nitrophenyl)cyclopentane-1-carboxamide
CID 81310802
N-(2,4-difluoro-6-nitrophenyl)-4-(propan-2-ylamino)butanamide
CID 81307714

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,4-difluoro-6-nitrophenyl)-2-methylpropanamide?
The IUPAC name of 2-amino-N-(2,4-difluoro-6-nitrophenyl)-2-methylpropanamide (CID 81309738) is 2-amino-N-(2,4-difluoro-6-nitrophenyl)-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-(2,4-difluoro-6-nitrophenyl)-2-methylpropanamide?
The canonical SMILES for 2-amino-N-(2,4-difluoro-6-nitrophenyl)-2-methylpropanamide is CC(C)(N)C(=O)Nc1c(F)cc(F)cc1[N+](=O)[O-].
What is the InChIKey of 2-amino-N-(2,4-difluoro-6-nitrophenyl)-2-methylpropanamide?
The InChIKey is ZWTGLZCGFXSEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3O3/c1-10(2,13)9(16)14-8-6(12)3-5(11)4-7(8)15(17)18/h3-4H,13H2,1-2H3,(H,14,16).
What are the key properties of 2-amino-N-(2,4-difluoro-6-nitrophenyl)-2-methylpropanamide?
2-amino-N-(2,4-difluoro-6-nitrophenyl)-2-methylpropanamide has a molecular weight of 259.21 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,4-difluoro-6-nitrophenyl)-2-methylpropanamide is sourced from PubChem (CID 81309738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).