2-[acetyl(1-phenylethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide

C20H23FN2O2 — CID 113161982

IUPAC2-[acetyl(1-phenylethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESCC(=O)N(CC(=O)NCCc1ccc(F)cc1)C(C)c1ccccc1
InChIInChI=1S/C20H23FN2O2/c1-15(18-6-4-3-5-7-18)23(16(2)24)14-20(25)22-13-12-17-8-10-19(21)11-9-17/h3-11,15H,12-14H2,1-2H3,(H,22,25)
InChIKeySBYSUPIJHWCTDN-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.09
Rot. Bonds7

About 2-[acetyl(1-phenylethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide

2-[acetyl(1-phenylethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide (PubChem CID 113161982) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 2-[acetyl(1-phenylethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[acetyl(1-phenylethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
PubChem CID113161982
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name2-[acetyl(1-phenylethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESCC(=O)N(CC(=O)NCCc1ccc(F)cc1)C(C)c1ccccc1
InChIInChI=1S/C20H23FN2O2/c1-15(18-6-4-3-5-7-18)23(16(2)24)14-20(25)22-13-12-17-8-10-19(21)11-9-17/h3-11,15H,12-14H2,1-2H3,(H,22,25)
InChIKeySBYSUPIJHWCTDN-UHFFFAOYSA-N
XLogP3.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl(1-phenylethyl)amino]-N-propylacetamide
CID 113161938
N-[2-(4-fluorophenyl)ethyl]-3-phenylbutanamide
CID 2914347
N-[2-(4-fluorophenyl)ethyl]-2-[2-hydroxypropyl(methyl)amino]acetamide
CID 62334683
2-[acetyl(1-phenylethyl)amino]-N-(pyridin-4-ylmethyl)acetamide
CID 113161978
3-[acetyl(butan-2-yl)amino]-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 113116151
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate
CID 7772104
2-[acetyl(tert-butyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 113166097
2-[benzyl(ethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 78787355
2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(2-phenylethyl)acetamide
CID 9028707
2-[acetyl(1-phenylethyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
CID 113161974
N-[2-[acetyl(1-phenylethyl)amino]ethyl]propanamide
CID 113054420
2-[acetyl(1-phenylethyl)amino]-N-cyclopropylacetamide
CID 113161940

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(1-phenylethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-[acetyl(1-phenylethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide (CID 113161982) is 2-[acetyl(1-phenylethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[acetyl(1-phenylethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[acetyl(1-phenylethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide is CC(=O)N(CC(=O)NCCc1ccc(F)cc1)C(C)c1ccccc1.
What is the InChIKey of 2-[acetyl(1-phenylethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is SBYSUPIJHWCTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-15(18-6-4-3-5-7-18)23(16(2)24)14-20(25)22-13-12-17-8-10-19(21)11-9-17/h3-11,15H,12-14H2,1-2H3,(H,22,25).
What are the key properties of 2-[acetyl(1-phenylethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide?
2-[acetyl(1-phenylethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 342.41 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(1-phenylethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 113161982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).