(3R)-1-(2-fluorophenyl)-5-oxo-N-[(3S)-3-(2-oxopyrrolidin-1-yl)pentyl]pyrrolidine-3-carboxamide

C20H26FN3O3 — CID 52533833

IUPAC(3R)-1-(2-fluorophenyl)-5-oxo-N-[(3S)-3-(2-oxopyrrolidin-1-yl)pentyl]pyrrolidine-3-carboxamide
SMILESCC[C@@H](CCNC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)N1CCCC1=O
InChIInChI=1S/C20H26FN3O3/c1-2-15(23-11-5-8-18(23)25)9-10-22-20(27)14-12-19(26)24(13-14)17-7-4-3-6-16(17)21/h3-4,6-7,14-15H,2,5,8-13H2,1H3,(H,22,27)/t14-,15+/m1/s1
InChIKeyYPTWNUVQXNDTKC-CABCVRRESA-N
MW375.44 g/mol
LogP2.09
Rot. Bonds7

About (3R)-1-(2-fluorophenyl)-5-oxo-N-[(3S)-3-(2-oxopyrrolidin-1-yl)pentyl]pyrrolidine-3-carboxamide

(3R)-1-(2-fluorophenyl)-5-oxo-N-[(3S)-3-(2-oxopyrrolidin-1-yl)pentyl]pyrrolidine-3-carboxamide (PubChem CID 52533833) has the molecular formula C20H26FN3O3 and a molecular weight of 375.44 g/mol. Its IUPAC name is (3R)-1-(2-fluorophenyl)-5-oxo-N-[(3S)-3-(2-oxopyrrolidin-1-yl)pentyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2-fluorophenyl)-5-oxo-N-[(3S)-3-(2-oxopyrrolidin-1-yl)pentyl]pyrrolidine-3-carboxamide
PubChem CID52533833
Molecular FormulaC20H26FN3O3
Molecular Weight375.44 g/mol
Exact Mass375.20
IUPAC Name(3R)-1-(2-fluorophenyl)-5-oxo-N-[(3S)-3-(2-oxopyrrolidin-1-yl)pentyl]pyrrolidine-3-carboxamide
SMILESCC[C@@H](CCNC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)N1CCCC1=O
InChIInChI=1S/C20H26FN3O3/c1-2-15(23-11-5-8-18(23)25)9-10-22-20(27)14-12-19(26)24(13-14)17-7-4-3-6-16(17)21/h3-4,6-7,14-15H,2,5,8-13H2,1H3,(H,22,27)/t14-,15+/m1/s1
InChIKeyYPTWNUVQXNDTKC-CABCVRRESA-N
XLogP2.09
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[[(3S)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]carbamate
CID 39351871
1-(2-fluorophenyl)-5-oxo-N-[3-(2-oxoazepan-1-yl)propyl]pyrrolidine-3-carboxamide
CID 46684406
1-(2-fluorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 47006883
3-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid
CID 119237470
N-[2-(cyclohexen-1-yl)ethyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 46684610
(3S)-N-[2-(4-fluorophenoxy)ethyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 37362337
1-(2-ethylphenyl)-5-oxo-N-[2-(2-oxoazepan-1-yl)ethyl]pyrrolidine-3-carboxamide
CID 55688415
(3S)-1-(2-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 51572628
N-(3-methylbutyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17080735
4-(2-hydroxyphenyl)-N'-methyl-N-[3-(2-oxopyrrolidin-1-yl)pentyl]piperazine-1-carboximidamide
CID 111184728
1-(2-butan-2-ylphenyl)-5-oxo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 51181758
(3S)-N-(1-adamantyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 25485796

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-fluorophenyl)-5-oxo-N-[(3S)-3-(2-oxopyrrolidin-1-yl)pentyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(2-fluorophenyl)-5-oxo-N-[(3S)-3-(2-oxopyrrolidin-1-yl)pentyl]pyrrolidine-3-carboxamide (CID 52533833) is (3R)-1-(2-fluorophenyl)-5-oxo-N-[(3S)-3-(2-oxopyrrolidin-1-yl)pentyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2-fluorophenyl)-5-oxo-N-[(3S)-3-(2-oxopyrrolidin-1-yl)pentyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2-fluorophenyl)-5-oxo-N-[(3S)-3-(2-oxopyrrolidin-1-yl)pentyl]pyrrolidine-3-carboxamide is CC[C@@H](CCNC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)N1CCCC1=O.
What is the InChIKey of (3R)-1-(2-fluorophenyl)-5-oxo-N-[(3S)-3-(2-oxopyrrolidin-1-yl)pentyl]pyrrolidine-3-carboxamide?
The InChIKey is YPTWNUVQXNDTKC-CABCVRRESA-N. The full InChI is InChI=1S/C20H26FN3O3/c1-2-15(23-11-5-8-18(23)25)9-10-22-20(27)14-12-19(26)24(13-14)17-7-4-3-6-16(17)21/h3-4,6-7,14-15H,2,5,8-13H2,1H3,(H,22,27)/t14-,15+/m1/s1.
What are the key properties of (3R)-1-(2-fluorophenyl)-5-oxo-N-[(3S)-3-(2-oxopyrrolidin-1-yl)pentyl]pyrrolidine-3-carboxamide?
(3R)-1-(2-fluorophenyl)-5-oxo-N-[(3S)-3-(2-oxopyrrolidin-1-yl)pentyl]pyrrolidine-3-carboxamide has a molecular weight of 375.44 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-fluorophenyl)-5-oxo-N-[(3S)-3-(2-oxopyrrolidin-1-yl)pentyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 52533833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).