(2R)-N-[(2S,3S)-2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)butanamide

C19H26FN3O2 — CID 124840387

IUPAC(2R)-N-[(2S,3S)-2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCCC(C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)cc1)N1CCCC1=O
InChIInChI=1S/C19H26FN3O2/c1-3-16(23-11-4-5-17(23)24)19(25)21-15-10-12-22(2)18(15)13-6-8-14(20)9-7-13/h6-9,15-16,18H,3-5,10-12H2,1-2H3,(H,21,25)/t15-,16?,18-/m0/s1
InChIKeyAMJXSBOZJSCJAO-SPQDMEGHSA-N
MW347.43 g/mol
LogP2.09
Rot. Bonds5

About (2R)-N-[(2S,3S)-2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)butanamide

(2R)-N-[(2S,3S)-2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)butanamide (PubChem CID 124840387) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is (2R)-N-[(2S,3S)-2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound Name(2R)-N-[(2S,3S)-2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)butanamide
PubChem CID124840387
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC Name(2R)-N-[(2S,3S)-2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCCC(C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)cc1)N1CCCC1=O
InChIInChI=1S/C19H26FN3O2/c1-3-16(23-11-4-5-17(23)24)19(25)21-15-10-12-22(2)18(15)13-6-8-14(20)9-7-13/h6-9,15-16,18H,3-5,10-12H2,1-2H3,(H,21,25)/t15-,16?,18-/m0/s1
InChIKeyAMJXSBOZJSCJAO-SPQDMEGHSA-N
XLogP2.09
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-N-[(2S,3S)-2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S,3S)-2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)butanamide?
The IUPAC name of (2R)-N-[(2S,3S)-2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)butanamide (CID 124840387) is (2R)-N-[(2S,3S)-2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for (2R)-N-[(2S,3S)-2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)butanamide?
The canonical SMILES for (2R)-N-[(2S,3S)-2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)butanamide is CCC(C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)cc1)N1CCCC1=O.
What is the InChIKey of (2R)-N-[(2S,3S)-2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)butanamide?
The InChIKey is AMJXSBOZJSCJAO-SPQDMEGHSA-N. The full InChI is InChI=1S/C19H26FN3O2/c1-3-16(23-11-4-5-17(23)24)19(25)21-15-10-12-22(2)18(15)13-6-8-14(20)9-7-13/h6-9,15-16,18H,3-5,10-12H2,1-2H3,(H,21,25)/t15-,16?,18-/m0/s1.
What are the key properties of (2R)-N-[(2S,3S)-2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)butanamide?
(2R)-N-[(2S,3S)-2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)butanamide has a molecular weight of 347.43 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S,3S)-2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 124840387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).