N-(2-fluoro-6-nitrophenyl)-2-methoxy-2-methylpropanamide

C11H13FN2O4 — CID 103029215

IUPACN-(2-fluoro-6-nitrophenyl)-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)Nc1c(F)cccc1[N+](=O)[O-]
InChIInChI=1S/C11H13FN2O4/c1-11(2,18-3)10(15)13-9-7(12)5-4-6-8(9)14(16)17/h4-6H,1-3H3,(H,13,15)
InChIKeySCPIFHSHVUHLHB-UHFFFAOYSA-N
MW256.23 g/mol
LogP2.10
Rot. Bonds4

About N-(2-fluoro-6-nitrophenyl)-2-methoxy-2-methylpropanamide

N-(2-fluoro-6-nitrophenyl)-2-methoxy-2-methylpropanamide (PubChem CID 103029215) has the molecular formula C11H13FN2O4 and a molecular weight of 256.23 g/mol. Its IUPAC name is N-(2-fluoro-6-nitrophenyl)-2-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-fluoro-6-nitrophenyl)-2-methoxy-2-methylpropanamide
PubChem CID103029215
Molecular FormulaC11H13FN2O4
Molecular Weight256.23 g/mol
Exact Mass256.09
IUPAC NameN-(2-fluoro-6-nitrophenyl)-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)Nc1c(F)cccc1[N+](=O)[O-]
InChIInChI=1S/C11H13FN2O4/c1-11(2,18-3)10(15)13-9-7(12)5-4-6-8(9)14(16)17/h4-6H,1-3H3,(H,13,15)
InChIKeySCPIFHSHVUHLHB-UHFFFAOYSA-N
XLogP2.10
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 52.10
H-Bond Donors ≤ 51
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

methyl 3-(2-fluoro-6-nitroanilino)-3-oxopropanoate
CID 170375217
3-amino-N-(2-fluoro-6-nitrophenyl)-2-methoxypropanamide
CID 106113239
3-(2-fluoro-6-nitroanilino)-2,2-dimethylpropan-1-ol
CID 81411575
2-(2-fluoro-6-nitroanilino)-2-methylpropane-1,3-diol
CID 112740614
3-(tert-butylamino)-N-(2-fluoro-6-nitrophenyl)propanamide
CID 81311088
3-(2-fluoro-6-nitroanilino)-2-hydroxy-2-methylpropanoic acid
CID 122061038
(2-fluoro-6-nitrophenyl) methyl carbonate
CID 67247258
(2S)-2-amino-N-(2-fluoro-6-nitrophenyl)-3-methylbutanamide
CID 81310717
3-(2-fluoro-6-nitroanilino)-2-methylbutan-2-ol
CID 81310688
2-[2-(2-fluoro-6-nitroanilino)-2-oxoethoxy]acetic acid
CID 81309953
3-amino-N-(2-fluoro-6-nitrophenyl)-2-methylpropanamide
CID 81309744
(2S,3S)-2-amino-N-(2-fluoro-6-nitrophenyl)-3-methylpentanamide
CID 81309749

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-6-nitrophenyl)-2-methoxy-2-methylpropanamide?
The IUPAC name of N-(2-fluoro-6-nitrophenyl)-2-methoxy-2-methylpropanamide (CID 103029215) is N-(2-fluoro-6-nitrophenyl)-2-methoxy-2-methylpropanamide.
What is the SMILES notation for N-(2-fluoro-6-nitrophenyl)-2-methoxy-2-methylpropanamide?
The canonical SMILES for N-(2-fluoro-6-nitrophenyl)-2-methoxy-2-methylpropanamide is COC(C)(C)C(=O)Nc1c(F)cccc1[N+](=O)[O-].
What is the InChIKey of N-(2-fluoro-6-nitrophenyl)-2-methoxy-2-methylpropanamide?
The InChIKey is SCPIFHSHVUHLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O4/c1-11(2,18-3)10(15)13-9-7(12)5-4-6-8(9)14(16)17/h4-6H,1-3H3,(H,13,15).
What are the key properties of N-(2-fluoro-6-nitrophenyl)-2-methoxy-2-methylpropanamide?
N-(2-fluoro-6-nitrophenyl)-2-methoxy-2-methylpropanamide has a molecular weight of 256.23 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-6-nitrophenyl)-2-methoxy-2-methylpropanamide is sourced from PubChem (CID 103029215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).