2-amino-3,3,3-trifluoro-N-(4-fluoro-3-nitrophenyl)-2-methylpropanamide

C10H9F4N3O3 — CID 79796657

IUPAC2-amino-3,3,3-trifluoro-N-(4-fluoro-3-nitrophenyl)-2-methylpropanamide
SMILESCC(N)(C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)C(F)(F)F
InChIInChI=1S/C10H9F4N3O3/c1-9(15,10(12,13)14)8(18)16-5-2-3-6(11)7(4-5)17(19)20/h2-4H,15H2,1H3,(H,16,18)
InChIKeyWGFSVYKVSWWGGR-UHFFFAOYSA-N
MW295.19 g/mol
LogP1.95
Rot. Bonds3

About 2-amino-3,3,3-trifluoro-N-(4-fluoro-3-nitrophenyl)-2-methylpropanamide

2-amino-3,3,3-trifluoro-N-(4-fluoro-3-nitrophenyl)-2-methylpropanamide (PubChem CID 79796657) has the molecular formula C10H9F4N3O3 and a molecular weight of 295.19 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-N-(4-fluoro-3-nitrophenyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-N-(4-fluoro-3-nitrophenyl)-2-methylpropanamide
PubChem CID79796657
Molecular FormulaC10H9F4N3O3
Molecular Weight295.19 g/mol
Exact Mass295.06
IUPAC Name2-amino-3,3,3-trifluoro-N-(4-fluoro-3-nitrophenyl)-2-methylpropanamide
SMILESCC(N)(C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)C(F)(F)F
InChIInChI=1S/C10H9F4N3O3/c1-9(15,10(12,13)14)8(18)16-5-2-3-6(11)7(4-5)17(19)20/h2-4H,15H2,1H3,(H,16,18)
InChIKeyWGFSVYKVSWWGGR-UHFFFAOYSA-N
XLogP1.95
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.19
LogP ≤ 51.95
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-(4-fluoro-3-nitrophenyl)-2,2-dimethylbutanamide
CID 1147566
(4-fluoro-3-nitrophenyl)carbamic acid
CID 22238368
(2S)-2-amino-N-(4-fluoro-3-nitrophenyl)propanamide
CID 61145688
4-fluoro-3-nitroaniline;N-(4-fluoro-3-nitrophenyl)acetamide
CID 158096795
2-bromo-N-(3-fluoro-4-nitrophenyl)-2-methylpropanamide
CID 114328999
N-[3-(4-fluoro-3-nitroanilino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 33172062
2-amino-N-(4-chloro-3-nitrophenyl)-2-methylpropanamide
CID 61266189
5-amino-N-(4-fluoro-3-nitrophenyl)-4-methylpentanamide
CID 82011167
N,N'-bis(4-fluoro-3-nitrophenyl)pentanediamide
CID 4303961
N-(4-fluoro-3-nitrophenyl)prop-2-enamide
CID 43422996
N-(4-fluoro-3-nitrophenyl)-4-methylbenzamide
CID 2853231
propan-2-yl N-(4-fluoro-3-nitrophenyl)carbamate
CID 107812713

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-N-(4-fluoro-3-nitrophenyl)-2-methylpropanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-N-(4-fluoro-3-nitrophenyl)-2-methylpropanamide (CID 79796657) is 2-amino-3,3,3-trifluoro-N-(4-fluoro-3-nitrophenyl)-2-methylpropanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-N-(4-fluoro-3-nitrophenyl)-2-methylpropanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-N-(4-fluoro-3-nitrophenyl)-2-methylpropanamide is CC(N)(C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-N-(4-fluoro-3-nitrophenyl)-2-methylpropanamide?
The InChIKey is WGFSVYKVSWWGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4N3O3/c1-9(15,10(12,13)14)8(18)16-5-2-3-6(11)7(4-5)17(19)20/h2-4H,15H2,1H3,(H,16,18).
What are the key properties of 2-amino-3,3,3-trifluoro-N-(4-fluoro-3-nitrophenyl)-2-methylpropanamide?
2-amino-3,3,3-trifluoro-N-(4-fluoro-3-nitrophenyl)-2-methylpropanamide has a molecular weight of 295.19 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-N-(4-fluoro-3-nitrophenyl)-2-methylpropanamide is sourced from PubChem (CID 79796657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).