3-amino-N-(2-fluoro-6-nitrophenyl)-2-methylpropanamide

C10H12FN3O3 — CID 81309744

IUPAC3-amino-N-(2-fluoro-6-nitrophenyl)-2-methylpropanamide
SMILESCC(CN)C(=O)Nc1c(F)cccc1[N+](=O)[O-]
InChIInChI=1S/C10H12FN3O3/c1-6(5-12)10(15)13-9-7(11)3-2-4-8(9)14(16)17/h2-4,6H,5,12H2,1H3,(H,13,15)
InChIKeyOQRPPHWUCGGLTQ-UHFFFAOYSA-N
MW241.22 g/mol
LogP1.27
Rot. Bonds4

About 3-amino-N-(2-fluoro-6-nitrophenyl)-2-methylpropanamide

3-amino-N-(2-fluoro-6-nitrophenyl)-2-methylpropanamide (PubChem CID 81309744) has the molecular formula C10H12FN3O3 and a molecular weight of 241.22 g/mol. Its IUPAC name is 3-amino-N-(2-fluoro-6-nitrophenyl)-2-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-(2-fluoro-6-nitrophenyl)-2-methylpropanamide
PubChem CID81309744
Molecular FormulaC10H12FN3O3
Molecular Weight241.22 g/mol
Exact Mass241.09
IUPAC Name3-amino-N-(2-fluoro-6-nitrophenyl)-2-methylpropanamide
SMILESCC(CN)C(=O)Nc1c(F)cccc1[N+](=O)[O-]
InChIInChI=1S/C10H12FN3O3/c1-6(5-12)10(15)13-9-7(11)3-2-4-8(9)14(16)17/h2-4,6H,5,12H2,1H3,(H,13,15)
InChIKeyOQRPPHWUCGGLTQ-UHFFFAOYSA-N
XLogP1.27
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 51.27
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

4-amino-N-(2-fluoro-6-nitrophenyl)-2-methylbutanamide
CID 81310021
3-amino-N-(2-fluoro-6-nitrophenyl)-2-methoxypropanamide
CID 106113239
(2S)-2-amino-N-(2-fluoro-6-nitrophenyl)-3-methylbutanamide
CID 81310717
4-amino-N-(2-fluoro-6-nitrophenyl)-3-methylbutanamide
CID 81310551
(2S,3S)-2-amino-N-(2-fluoro-6-nitrophenyl)-3-methylpentanamide
CID 81309749
(2S)-2-amino-N-(2-fluoro-6-nitrophenyl)-3-methylpentanamide
CID 81310807
(2S)-2-amino-N-(2-fluoro-6-nitrophenyl)hexanamide
CID 107146091
5-amino-N-(2-fluoro-6-nitrophenyl)pentanamide
CID 81310195
methyl 3-(2-fluoro-6-nitroanilino)-3-oxopropanoate
CID 170375217
N-(2-fluoro-6-nitrophenyl)-2-methoxy-2-methylpropanamide
CID 103029215
N-(2-fluoro-6-nitrophenyl)-4-(methylamino)butanamide
CID 81310912
(2-fluoro-6-nitrophenyl)hydrazine
CID 81310893

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-fluoro-6-nitrophenyl)-2-methylpropanamide?
The IUPAC name of 3-amino-N-(2-fluoro-6-nitrophenyl)-2-methylpropanamide (CID 81309744) is 3-amino-N-(2-fluoro-6-nitrophenyl)-2-methylpropanamide.
What is the SMILES notation for 3-amino-N-(2-fluoro-6-nitrophenyl)-2-methylpropanamide?
The canonical SMILES for 3-amino-N-(2-fluoro-6-nitrophenyl)-2-methylpropanamide is CC(CN)C(=O)Nc1c(F)cccc1[N+](=O)[O-].
What is the InChIKey of 3-amino-N-(2-fluoro-6-nitrophenyl)-2-methylpropanamide?
The InChIKey is OQRPPHWUCGGLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O3/c1-6(5-12)10(15)13-9-7(11)3-2-4-8(9)14(16)17/h2-4,6H,5,12H2,1H3,(H,13,15).
What are the key properties of 3-amino-N-(2-fluoro-6-nitrophenyl)-2-methylpropanamide?
3-amino-N-(2-fluoro-6-nitrophenyl)-2-methylpropanamide has a molecular weight of 241.22 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-fluoro-6-nitrophenyl)-2-methylpropanamide is sourced from PubChem (CID 81309744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).