3-(4-fluorophenoxy)-N-[1-(4-fluorophenyl)ethyl]propanamide

C17H17F2NO2 — CID 43060182

IUPAC3-(4-fluorophenoxy)-N-[1-(4-fluorophenyl)ethyl]propanamide
SMILESCC(NC(=O)CCOc1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H17F2NO2/c1-12(13-2-4-14(18)5-3-13)20-17(21)10-11-22-16-8-6-15(19)7-9-16/h2-9,12H,10-11H2,1H3,(H,20,21)
InChIKeyQGXQQTFEVQEEJL-UHFFFAOYSA-N
MW305.32 g/mol
LogP3.61
Rot. Bonds6

About 3-(4-fluorophenoxy)-N-[1-(4-fluorophenyl)ethyl]propanamide

3-(4-fluorophenoxy)-N-[1-(4-fluorophenyl)ethyl]propanamide (PubChem CID 43060182) has the molecular formula C17H17F2NO2 and a molecular weight of 305.32 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)-N-[1-(4-fluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-fluorophenoxy)-N-[1-(4-fluorophenyl)ethyl]propanamide
PubChem CID43060182
Molecular FormulaC17H17F2NO2
Molecular Weight305.32 g/mol
Exact Mass305.12
IUPAC Name3-(4-fluorophenoxy)-N-[1-(4-fluorophenyl)ethyl]propanamide
SMILESCC(NC(=O)CCOc1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H17F2NO2/c1-12(13-2-4-14(18)5-3-13)20-17(21)10-11-22-16-8-6-15(19)7-9-16/h2-9,12H,10-11H2,1H3,(H,20,21)
InChIKeyQGXQQTFEVQEEJL-UHFFFAOYSA-N
XLogP3.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(4-fluorophenyl)ethyl]-4-phenoxybutanamide
CID 94330096
N-[(1S)-1-(4-fluorophenyl)ethyl]-3-(3-methylphenoxy)propanamide
CID 2469859
3-(4-ethylphenoxy)-N-[1-(4-ethylphenyl)ethyl]propanamide
CID 108795767
2-[3-(4-fluorophenoxy)propyl-methylamino]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 46444841
3-amino-N-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]propanamide
CID 119317323
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 2632446
2-(4-aminophenoxy)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 61026509
3-amino-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 61247716
N-[1-(4-fluorophenyl)ethyl]-2-[4-(hydroxymethyl)phenoxy]acetamide
CID 110876946
2-(4-tert-butylphenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 2462788
2-[3-(4-fluorophenoxy)propanoylamino]-4-methylpentanoic acid
CID 43353252
(2S)-2-[3-(4-fluorophenoxy)propanoylamino]-4-methylpentanoic acid
CID 61137913

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenoxy)-N-[1-(4-fluorophenyl)ethyl]propanamide?
The IUPAC name of 3-(4-fluorophenoxy)-N-[1-(4-fluorophenyl)ethyl]propanamide (CID 43060182) is 3-(4-fluorophenoxy)-N-[1-(4-fluorophenyl)ethyl]propanamide.
What is the SMILES notation for 3-(4-fluorophenoxy)-N-[1-(4-fluorophenyl)ethyl]propanamide?
The canonical SMILES for 3-(4-fluorophenoxy)-N-[1-(4-fluorophenyl)ethyl]propanamide is CC(NC(=O)CCOc1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenoxy)-N-[1-(4-fluorophenyl)ethyl]propanamide?
The InChIKey is QGXQQTFEVQEEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO2/c1-12(13-2-4-14(18)5-3-13)20-17(21)10-11-22-16-8-6-15(19)7-9-16/h2-9,12H,10-11H2,1H3,(H,20,21).
What are the key properties of 3-(4-fluorophenoxy)-N-[1-(4-fluorophenyl)ethyl]propanamide?
3-(4-fluorophenoxy)-N-[1-(4-fluorophenyl)ethyl]propanamide has a molecular weight of 305.32 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenoxy)-N-[1-(4-fluorophenyl)ethyl]propanamide is sourced from PubChem (CID 43060182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).