3-[(2R)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1-phenylcyclopentyl)methyl]propanamide

C26H31FN2O2 — CID 42168999

IUPAC3-[(2R)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1-phenylcyclopentyl)methyl]propanamide
SMILESO=C(CC[C@@]1(Cc2ccc(F)cc2)CCC(=O)N1)NCC1(c2ccccc2)CCCC1
InChIInChI=1S/C26H31FN2O2/c27-22-10-8-20(9-11-22)18-26(17-13-24(31)29-26)16-12-23(30)28-19-25(14-4-5-15-25)21-6-2-1-3-7-21/h1-3,6-11H,4-5,12-19H2,(H,28,30)(H,29,31)/t26-/m0/s1
InChIKeyPGECPIPTMWVPOA-SANMLTNESA-N
MW422.54 g/mol
LogP4.43
Rot. Bonds8

About 3-[(2R)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1-phenylcyclopentyl)methyl]propanamide

3-[(2R)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1-phenylcyclopentyl)methyl]propanamide (PubChem CID 42168999) has the molecular formula C26H31FN2O2 and a molecular weight of 422.54 g/mol. Its IUPAC name is 3-[(2R)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1-phenylcyclopentyl)methyl]propanamide.

Molecular Properties

Compound Name3-[(2R)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1-phenylcyclopentyl)methyl]propanamide
PubChem CID42168999
Molecular FormulaC26H31FN2O2
Molecular Weight422.54 g/mol
Exact Mass422.24
IUPAC Name3-[(2R)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1-phenylcyclopentyl)methyl]propanamide
SMILESO=C(CC[C@@]1(Cc2ccc(F)cc2)CCC(=O)N1)NCC1(c2ccccc2)CCCC1
InChIInChI=1S/C26H31FN2O2/c27-22-10-8-20(9-11-22)18-26(17-13-24(31)29-26)16-12-23(30)28-19-25(14-4-5-15-25)21-6-2-1-3-7-21/h1-3,6-11H,4-5,12-19H2,(H,28,30)(H,29,31)/t26-/m0/s1
InChIKeyPGECPIPTMWVPOA-SANMLTNESA-N
XLogP4.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.54
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-3-(2-benzyl-5-oxopyrrolidin-2-yl)propanamide
CID 45238839
3-(2-ethyl-5-oxopyrrolidin-2-yl)-N-[(4-phenyloxan-4-yl)methyl]propanamide
CID 45237888
3-[(2R)-2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 42248204
3-[2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(thiophen-3-ylmethyl)propanamide
CID 45185306
N-[2-(2-fluorophenyl)ethyl]-3-[(2R)-5-oxo-2-[(4-phenylphenyl)methyl]pyrrolidin-2-yl]propanamide
CID 26403121
3-[(2S)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[[(1R,2R,4S)-spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl]propanamide
CID 98568996
3-[(2S)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
CID 42453177
3-[(2R)-2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(2,2-diphenylethyl)propanamide
CID 26355431
N-[(4-fluorophenyl)methyl]-3-[(2R)-2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
CID 26278897
N-[(2-fluorophenyl)methyl]-3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
CID 45179274
3-[(2S)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide
CID 42440951
3-[(2R)-2-benzyl-5-oxopyrrolidin-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 42366993

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1-phenylcyclopentyl)methyl]propanamide?
The IUPAC name of 3-[(2R)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1-phenylcyclopentyl)methyl]propanamide (CID 42168999) is 3-[(2R)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1-phenylcyclopentyl)methyl]propanamide.
What is the SMILES notation for 3-[(2R)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1-phenylcyclopentyl)methyl]propanamide?
The canonical SMILES for 3-[(2R)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1-phenylcyclopentyl)methyl]propanamide is O=C(CC[C@@]1(Cc2ccc(F)cc2)CCC(=O)N1)NCC1(c2ccccc2)CCCC1.
What is the InChIKey of 3-[(2R)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1-phenylcyclopentyl)methyl]propanamide?
The InChIKey is PGECPIPTMWVPOA-SANMLTNESA-N. The full InChI is InChI=1S/C26H31FN2O2/c27-22-10-8-20(9-11-22)18-26(17-13-24(31)29-26)16-12-23(30)28-19-25(14-4-5-15-25)21-6-2-1-3-7-21/h1-3,6-11H,4-5,12-19H2,(H,28,30)(H,29,31)/t26-/m0/s1.
What are the key properties of 3-[(2R)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1-phenylcyclopentyl)methyl]propanamide?
3-[(2R)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1-phenylcyclopentyl)methyl]propanamide has a molecular weight of 422.54 g/mol, XLogP of 4.43, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1-phenylcyclopentyl)methyl]propanamide is sourced from PubChem (CID 42168999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).