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

C10H12FN3O4 — CID 106113239

IUPAC3-amino-N-(2-fluoro-6-nitrophenyl)-2-methoxypropanamide
SMILESCOC(CN)C(=O)Nc1c(F)cccc1[N+](=O)[O-]
InChIInChI=1S/C10H12FN3O4/c1-18-8(5-12)10(15)13-9-6(11)3-2-4-7(9)14(16)17/h2-4,8H,5,12H2,1H3,(H,13,15)
InChIKeyBXFUAZTXUQJGGU-UHFFFAOYSA-N
MW257.22 g/mol
LogP0.65
Rot. Bonds5

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

3-amino-N-(2-fluoro-6-nitrophenyl)-2-methoxypropanamide (PubChem CID 106113239) has the molecular formula C10H12FN3O4 and a molecular weight of 257.22 g/mol. Its IUPAC name is 3-amino-N-(2-fluoro-6-nitrophenyl)-2-methoxypropanamide.

Molecular Properties

Compound Name3-amino-N-(2-fluoro-6-nitrophenyl)-2-methoxypropanamide
PubChem CID106113239
Molecular FormulaC10H12FN3O4
Molecular Weight257.22 g/mol
Exact Mass257.08
IUPAC Name3-amino-N-(2-fluoro-6-nitrophenyl)-2-methoxypropanamide
SMILESCOC(CN)C(=O)Nc1c(F)cccc1[N+](=O)[O-]
InChIInChI=1S/C10H12FN3O4/c1-18-8(5-12)10(15)13-9-6(11)3-2-4-7(9)14(16)17/h2-4,8H,5,12H2,1H3,(H,13,15)
InChIKeyBXFUAZTXUQJGGU-UHFFFAOYSA-N
XLogP0.65
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

3-amino-N-(2-fluoro-6-nitrophenyl)-2-methylpropanamide
CID 81309744
4-amino-N-(2-fluoro-6-nitrophenyl)-2-methylbutanamide
CID 81310021
3-amino-N-(2-chloro-6-fluorophenyl)-2-methoxypropanamide
CID 106113926
(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)-3-methylbutanamide
CID 81310717
4-amino-N-(2-fluoro-6-nitrophenyl)-3-methylbutanamide
CID 81310551
methyl 3-(2-fluoro-6-nitroanilino)-3-oxopropanoate
CID 170375217
N-(2-fluoro-6-nitrophenyl)-2-methoxy-2-methylpropanamide
CID 103029215
(2S)-2-amino-N-(2-fluoro-6-nitrophenyl)hexanamide
CID 107146091
5-amino-N-(2-fluoro-6-nitrophenyl)pentanamide
CID 81310195
2-[2-(2-fluoro-6-nitroanilino)-2-oxoethoxy]acetic acid
CID 81309953

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-fluoro-6-nitrophenyl)-2-methoxypropanamide?
The IUPAC name of 3-amino-N-(2-fluoro-6-nitrophenyl)-2-methoxypropanamide (CID 106113239) is 3-amino-N-(2-fluoro-6-nitrophenyl)-2-methoxypropanamide.
What is the SMILES notation for 3-amino-N-(2-fluoro-6-nitrophenyl)-2-methoxypropanamide?
The canonical SMILES for 3-amino-N-(2-fluoro-6-nitrophenyl)-2-methoxypropanamide is COC(CN)C(=O)Nc1c(F)cccc1[N+](=O)[O-].
What is the InChIKey of 3-amino-N-(2-fluoro-6-nitrophenyl)-2-methoxypropanamide?
The InChIKey is BXFUAZTXUQJGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O4/c1-18-8(5-12)10(15)13-9-6(11)3-2-4-7(9)14(16)17/h2-4,8H,5,12H2,1H3,(H,13,15).
What are the key properties of 3-amino-N-(2-fluoro-6-nitrophenyl)-2-methoxypropanamide?
3-amino-N-(2-fluoro-6-nitrophenyl)-2-methoxypropanamide has a molecular weight of 257.22 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-fluoro-6-nitrophenyl)-2-methoxypropanamide is sourced from PubChem (CID 106113239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).