N-(4-fluorophenoxy)-2-methylpropanamide

C10H12FNO2 — CID 154207702

IUPACN-(4-fluorophenoxy)-2-methylpropanamide
SMILESCC(C)C(=O)NOc1ccc(F)cc1
InChIInChI=1S/C10H12FNO2/c1-7(2)10(13)12-14-9-5-3-8(11)4-6-9/h3-7H,1-2H3,(H,12,13)
InChIKeyWJGMRQMOURZHLH-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.89
Rot. Bonds3

About N-(4-fluorophenoxy)-2-methylpropanamide

N-(4-fluorophenoxy)-2-methylpropanamide (PubChem CID 154207702) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is N-(4-fluorophenoxy)-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-fluorophenoxy)-2-methylpropanamide
PubChem CID154207702
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC NameN-(4-fluorophenoxy)-2-methylpropanamide
SMILESCC(C)C(=O)NOc1ccc(F)cc1
InChIInChI=1S/C10H12FNO2/c1-7(2)10(13)12-14-9-5-3-8(11)4-6-9/h3-7H,1-2H3,(H,12,13)
InChIKeyWJGMRQMOURZHLH-UHFFFAOYSA-N
XLogP1.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenoxy)-2-methylpropanamide?
The IUPAC name of N-(4-fluorophenoxy)-2-methylpropanamide (CID 154207702) is N-(4-fluorophenoxy)-2-methylpropanamide.
What is the SMILES notation for N-(4-fluorophenoxy)-2-methylpropanamide?
The canonical SMILES for N-(4-fluorophenoxy)-2-methylpropanamide is CC(C)C(=O)NOc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenoxy)-2-methylpropanamide?
The InChIKey is WJGMRQMOURZHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2/c1-7(2)10(13)12-14-9-5-3-8(11)4-6-9/h3-7H,1-2H3,(H,12,13).
What are the key properties of N-(4-fluorophenoxy)-2-methylpropanamide?
N-(4-fluorophenoxy)-2-methylpropanamide has a molecular weight of 197.21 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenoxy)-2-methylpropanamide is sourced from PubChem (CID 154207702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).