3-cyclopentyl-N-[[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]propanamide

C20H27FN2O2 — CID 40911327

IUPAC3-cyclopentyl-N-[[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]propanamide
SMILESO=C(CCC1CCCC1)NC[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1
InChIInChI=1S/C20H27FN2O2/c21-18-8-5-16(6-9-18)13-23-14-17(11-20(23)25)12-22-19(24)10-7-15-3-1-2-4-15/h5-6,8-9,15,17H,1-4,7,10-14H2,(H,22,24)/t17-/m0/s1
InChIKeyAWXSXBGPZKIOLG-KRWDZBQOSA-N
MW346.45 g/mol
LogP3.26
Rot. Bonds7

About 3-cyclopentyl-N-[[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]propanamide

3-cyclopentyl-N-[[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]propanamide (PubChem CID 40911327) has the molecular formula C20H27FN2O2 and a molecular weight of 346.45 g/mol. Its IUPAC name is 3-cyclopentyl-N-[[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]propanamide
PubChem CID40911327
Molecular FormulaC20H27FN2O2
Molecular Weight346.45 g/mol
Exact Mass346.21
IUPAC Name3-cyclopentyl-N-[[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]propanamide
SMILESO=C(CCC1CCCC1)NC[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1
InChIInChI=1S/C20H27FN2O2/c21-18-8-5-16(6-9-18)13-23-14-17(11-20(23)25)12-22-19(24)10-7-15-3-1-2-4-15/h5-6,8-9,15,17H,1-4,7,10-14H2,(H,22,24)/t17-/m0/s1
InChIKeyAWXSXBGPZKIOLG-KRWDZBQOSA-N
XLogP3.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]butanamide
CID 16919535
N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]cyclopentanecarboxamide
CID 16919409
N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]acetamide
CID 16919398
N-[[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-2-methoxyacetamide
CID 40911335
2-ethoxy-N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]acetamide
CID 16919418
(Z)-N-[[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]but-2-enamide
CID 40911334
1-(4-fluorophenyl)-3-[[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]urea
CID 40923279
2-ethyl-N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]butanamide
CID 16919406
ethyl 2-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methylamino]-2-oxoacetate
CID 16919419
3-cyclohexyl-N-[(4-fluorophenyl)methyl]propanamide
CID 803650
3-cyclopentyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 16918197
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide
CID 16919346

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]propanamide (CID 40911327) is 3-cyclopentyl-N-[[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]propanamide is O=C(CCC1CCCC1)NC[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1.
What is the InChIKey of 3-cyclopentyl-N-[[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]propanamide?
The InChIKey is AWXSXBGPZKIOLG-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H27FN2O2/c21-18-8-5-16(6-9-18)13-23-14-17(11-20(23)25)12-22-19(24)10-7-15-3-1-2-4-15/h5-6,8-9,15,17H,1-4,7,10-14H2,(H,22,24)/t17-/m0/s1.
What are the key properties of 3-cyclopentyl-N-[[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]propanamide?
3-cyclopentyl-N-[[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]propanamide has a molecular weight of 346.45 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]propanamide is sourced from PubChem (CID 40911327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).