N-(4-fluoro-2-nitrophenyl)-2,2-dimethylpropanamide

C11H13FN2O3 — CID 2798283

IUPACN-(4-fluoro-2-nitrophenyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C11H13FN2O3/c1-11(2,3)10(15)13-8-5-4-7(12)6-9(8)14(16)17/h4-6H,1-3H3,(H,13,15)
InChIKeyLAEFJQXOYMOWJC-UHFFFAOYSA-N
MW240.23 g/mol
LogP2.72
Rot. Bonds2

About N-(4-fluoro-2-nitrophenyl)-2,2-dimethylpropanamide

N-(4-fluoro-2-nitrophenyl)-2,2-dimethylpropanamide (PubChem CID 2798283) has the molecular formula C11H13FN2O3 and a molecular weight of 240.23 g/mol. Its IUPAC name is N-(4-fluoro-2-nitrophenyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(4-fluoro-2-nitrophenyl)-2,2-dimethylpropanamide
PubChem CID2798283
Molecular FormulaC11H13FN2O3
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC NameN-(4-fluoro-2-nitrophenyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C11H13FN2O3/c1-11(2,3)10(15)13-8-5-4-7(12)6-9(8)14(16)17/h4-6H,1-3H3,(H,13,15)
InChIKeyLAEFJQXOYMOWJC-UHFFFAOYSA-N
XLogP2.72
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-nitrophenyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(4-fluoro-2-nitrophenyl)-2,2-dimethylpropanamide (CID 2798283) is N-(4-fluoro-2-nitrophenyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(4-fluoro-2-nitrophenyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(4-fluoro-2-nitrophenyl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccc(F)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-fluoro-2-nitrophenyl)-2,2-dimethylpropanamide?
The InChIKey is LAEFJQXOYMOWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3/c1-11(2,3)10(15)13-8-5-4-7(12)6-9(8)14(16)17/h4-6H,1-3H3,(H,13,15).
What are the key properties of N-(4-fluoro-2-nitrophenyl)-2,2-dimethylpropanamide?
N-(4-fluoro-2-nitrophenyl)-2,2-dimethylpropanamide has a molecular weight of 240.23 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-nitrophenyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 2798283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).