N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]-2-phenylacetamide

C21H23FN2O2 — CID 71784594

IUPACN-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCC(Cc1cccc(F)c1)N1CCCC1=O
InChIInChI=1S/C21H23FN2O2/c22-18-9-4-8-17(12-18)13-19(24-11-5-10-21(24)26)15-23-20(25)14-16-6-2-1-3-7-16/h1-4,6-9,12,19H,5,10-11,13-15H2,(H,23,25)
InChIKeyZJCXXUOJDBOWPP-UHFFFAOYSA-N
MW354.43 g/mol
LogP2.72
Rot. Bonds7

About N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]-2-phenylacetamide

N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]-2-phenylacetamide (PubChem CID 71784594) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]-2-phenylacetamide
PubChem CID71784594
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC NameN-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCC(Cc1cccc(F)c1)N1CCCC1=O
InChIInChI=1S/C21H23FN2O2/c22-18-9-4-8-17(12-18)13-19(24-11-5-10-21(24)26)15-23-20(25)14-16-6-2-1-3-7-16/h1-4,6-9,12,19H,5,10-11,13-15H2,(H,23,25)
InChIKeyZJCXXUOJDBOWPP-UHFFFAOYSA-N
XLogP2.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Benzylpyrrolidin-2-One
CID 99881
F 1459
CID 162185
Methyl-phe-pro-amino-cyclohexylglycine
CID 448763
Cyclo(L-Phe-L-Pro)
CID 443440
N-Cyclohexyl-2-phenylacetamide
CID 82500
3,6-Dibenzyl-2,5-dioxopiperazine
CID 16829
Phenylalanylphenylalanylamide
CID 85169
N-{[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl}benzamide
CID 5494422
N-cyclohexyl-4-phenylbutanamide
CID 288831
(3S-trans)-3-benzylhexahydropyrrolo(1,2-a)pyrazine-1,4-dione
CID 99895
Denagliptin
CID 9887755
cyclo[Asu(NHOH)(NHOH)-Phe-Phe-D-Pro]
CID 6917986

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]-2-phenylacetamide?
The IUPAC name of N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]-2-phenylacetamide (CID 71784594) is N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]-2-phenylacetamide.
What is the SMILES notation for N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]-2-phenylacetamide?
The canonical SMILES for N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]-2-phenylacetamide is O=C(Cc1ccccc1)NCC(Cc1cccc(F)c1)N1CCCC1=O.
What is the InChIKey of N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]-2-phenylacetamide?
The InChIKey is ZJCXXUOJDBOWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O2/c22-18-9-4-8-17(12-18)13-19(24-11-5-10-21(24)26)15-23-20(25)14-16-6-2-1-3-7-16/h1-4,6-9,12,19H,5,10-11,13-15H2,(H,23,25).
What are the key properties of N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]-2-phenylacetamide?
N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]-2-phenylacetamide has a molecular weight of 354.43 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]-2-phenylacetamide is sourced from PubChem (CID 71784594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).