N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-3-phenoxypropanamide

C19H21FN2O3 — CID 112993396

IUPACN-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)NCC(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C19H21FN2O3/c20-16-8-6-15(7-9-16)10-12-21-19(24)14-22-18(23)11-13-25-17-4-2-1-3-5-17/h1-9H,10-14H2,(H,21,24)(H,22,23)
InChIKeyXZUGGGRSZLSYOT-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.07
Rot. Bonds9

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

N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-3-phenoxypropanamide (PubChem CID 112993396) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-3-phenoxypropanamide
PubChem CID112993396
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC NameN-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)NCC(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C19H21FN2O3/c20-16-8-6-15(7-9-16)10-12-21-19(24)14-22-18(23)11-13-25-17-4-2-1-3-5-17/h1-9H,10-14H2,(H,21,24)(H,22,23)
InChIKeyXZUGGGRSZLSYOT-UHFFFAOYSA-N
XLogP2.07
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-3-phenoxypropanamide
CID 110755527
2-(4-fluorophenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide
CID 112993239
N-[2-(4-fluorophenyl)ethyl]-4-phenylbutanamide
CID 2288121
3-(4-methylphenyl)-N-[2-(3-phenoxypropanoylamino)ethyl]propanamide
CID 108542327
N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-3-phenoxypropanamide
CID 112993925
3-(2-aminoethoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 112738957
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-(4-fluorophenyl)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]acetamide
CID 109000540
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenoxypropanamide
CID 10471777
N-[2-(4-morpholin-4-ylphenyl)ethyl]-3-phenoxypropanamide
CID 110405008

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-3-phenoxypropanamide?
The IUPAC name of N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-3-phenoxypropanamide (CID 112993396) is N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-3-phenoxypropanamide?
The canonical SMILES for N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-3-phenoxypropanamide is O=C(CCOc1ccccc1)NCC(=O)NCCc1ccc(F)cc1.
What is the InChIKey of N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-3-phenoxypropanamide?
The InChIKey is XZUGGGRSZLSYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c20-16-8-6-15(7-9-16)10-12-21-19(24)14-22-18(23)11-13-25-17-4-2-1-3-5-17/h1-9H,10-14H2,(H,21,24)(H,22,23).
What are the key properties of N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-3-phenoxypropanamide?
N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-3-phenoxypropanamide has a molecular weight of 344.39 g/mol, XLogP of 2.07, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-3-phenoxypropanamide is sourced from PubChem (CID 112993396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).