N-[2-(4-fluorophenyl)ethyl]-3-phenoxypropanamide

C17H18FNO2 — CID 110755527

IUPACN-[2-(4-fluorophenyl)ethyl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)NCCc1ccc(F)cc1
InChIInChI=1S/C17H18FNO2/c18-15-8-6-14(7-9-15)10-12-19-17(20)11-13-21-16-4-2-1-3-5-16/h1-9H,10-13H2,(H,19,20)
InChIKeyRZZWGGXHFJEKPM-UHFFFAOYSA-N
MW287.33 g/mol
LogP2.95
Rot. Bonds7

About N-[2-(4-fluorophenyl)ethyl]-3-phenoxypropanamide

N-[2-(4-fluorophenyl)ethyl]-3-phenoxypropanamide (PubChem CID 110755527) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-3-phenoxypropanamide
PubChem CID110755527
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)NCCc1ccc(F)cc1
InChIInChI=1S/C17H18FNO2/c18-15-8-6-14(7-9-15)10-12-19-17(20)11-13-21-16-4-2-1-3-5-16/h1-9H,10-13H2,(H,19,20)
InChIKeyRZZWGGXHFJEKPM-UHFFFAOYSA-N
XLogP2.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-3-phenoxypropanamide
CID 112993396
N-[2-(4-fluorophenyl)ethyl]-4-phenylbutanamide
CID 2288121
3-(4-methylphenyl)-N-[2-(3-phenoxypropanoylamino)ethyl]propanamide
CID 108542327
N-[4-(4-fluorophenoxy)butyl]-3-(4-fluorophenyl)propanamide
CID 134056622
4-[2-[3-[2-(4-fluorophenoxy)ethoxy]phenyl]ethylamino]-4-oxobutanoic acid
CID 22683551
N-[2-(4-fluorophenyl)ethyl]-3-(2-phenylethylamino)propanamide
CID 109024236
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenoxypropanamide
CID 10471777
N-[2-(4-morpholin-4-ylphenyl)ethyl]-3-phenoxypropanamide
CID 110405008
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-phenoxypropanamide
CID 110731483
N-[2-(3-chlorophenyl)ethyl]-3-phenoxypropanamide
CID 113098409
4-(4-fluorophenoxy)-N-[2-(4-prop-2-ynoxyphenyl)ethyl]butanamide
CID 86874580
3-(2-aminoethoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 112738957

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3-phenoxypropanamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3-phenoxypropanamide (CID 110755527) is N-[2-(4-fluorophenyl)ethyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-3-phenoxypropanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-3-phenoxypropanamide is O=C(CCOc1ccccc1)NCCc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-3-phenoxypropanamide?
The InChIKey is RZZWGGXHFJEKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c18-15-8-6-14(7-9-15)10-12-19-17(20)11-13-21-16-4-2-1-3-5-16/h1-9H,10-13H2,(H,19,20).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-3-phenoxypropanamide?
N-[2-(4-fluorophenyl)ethyl]-3-phenoxypropanamide has a molecular weight of 287.33 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-3-phenoxypropanamide is sourced from PubChem (CID 110755527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).