(2S,4R)-4-fluoro-1-[4-(2-oxopyrrolidin-1-yl)benzoyl]pyrrolidine-2-carboxamide

C16H18FN3O3 — CID 120965396

IUPAC(2S,4R)-4-fluoro-1-[4-(2-oxopyrrolidin-1-yl)benzoyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1C[C@@H](F)CN1C(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C16H18FN3O3/c17-11-8-13(15(18)22)20(9-11)16(23)10-3-5-12(6-4-10)19-7-1-2-14(19)21/h3-6,11,13H,1-2,7-9H2,(H2,18,22)/t11-,13+/m1/s1
InChIKeyVPZZVKWVEXDCEJ-YPMHNXCESA-N
MW319.34 g/mol
LogP0.85
Rot. Bonds3

About (2S,4R)-4-fluoro-1-[4-(2-oxopyrrolidin-1-yl)benzoyl]pyrrolidine-2-carboxamide

(2S,4R)-4-fluoro-1-[4-(2-oxopyrrolidin-1-yl)benzoyl]pyrrolidine-2-carboxamide (PubChem CID 120965396) has the molecular formula C16H18FN3O3 and a molecular weight of 319.34 g/mol. Its IUPAC name is (2S,4R)-4-fluoro-1-[4-(2-oxopyrrolidin-1-yl)benzoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-fluoro-1-[4-(2-oxopyrrolidin-1-yl)benzoyl]pyrrolidine-2-carboxamide
PubChem CID120965396
Molecular FormulaC16H18FN3O3
Molecular Weight319.34 g/mol
Exact Mass319.13
IUPAC Name(2S,4R)-4-fluoro-1-[4-(2-oxopyrrolidin-1-yl)benzoyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1C[C@@H](F)CN1C(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C16H18FN3O3/c17-11-8-13(15(18)22)20(9-11)16(23)10-3-5-12(6-4-10)19-7-1-2-14(19)21/h3-6,11,13H,1-2,7-9H2,(H2,18,22)/t11-,13+/m1/s1
InChIKeyVPZZVKWVEXDCEJ-YPMHNXCESA-N
XLogP0.85
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S,4R)-4-fluoro-1-[4-(2-oxopyrrolidin-1-yl)benzoyl]pyrrolidine-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

1-[4-(2-oxopiperidin-1-yl)benzoyl]piperidine-4-carboxamide
CID 32978699
4-methyl-1-[3-(2-oxopyrrolidin-1-yl)benzoyl]piperazine-2-carboxamide
CID 175657009
5-oxo-1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxamide
CID 168697848
1-[4-(2-ethylpyrrolidine-1-carbonyl)phenyl]pyrrolidin-2-one
CID 110619098
1-[4-[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 51338954
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
1-[4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]phenyl]pyrrolidin-2-one
CID 9296296
1-[4-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]pyrrolidin-2-one
CID 128977330
3-(4-fluorophenyl)-4-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperazin-2-one
CID 110425972
1-[4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 119649565
1-[4-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 24610385
1-[4-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 134021429

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-fluoro-1-[4-(2-oxopyrrolidin-1-yl)benzoyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-fluoro-1-[4-(2-oxopyrrolidin-1-yl)benzoyl]pyrrolidine-2-carboxamide (CID 120965396) is (2S,4R)-4-fluoro-1-[4-(2-oxopyrrolidin-1-yl)benzoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-fluoro-1-[4-(2-oxopyrrolidin-1-yl)benzoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-fluoro-1-[4-(2-oxopyrrolidin-1-yl)benzoyl]pyrrolidine-2-carboxamide is NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of (2S,4R)-4-fluoro-1-[4-(2-oxopyrrolidin-1-yl)benzoyl]pyrrolidine-2-carboxamide?
The InChIKey is VPZZVKWVEXDCEJ-YPMHNXCESA-N. The full InChI is InChI=1S/C16H18FN3O3/c17-11-8-13(15(18)22)20(9-11)16(23)10-3-5-12(6-4-10)19-7-1-2-14(19)21/h3-6,11,13H,1-2,7-9H2,(H2,18,22)/t11-,13+/m1/s1.
What are the key properties of (2S,4R)-4-fluoro-1-[4-(2-oxopyrrolidin-1-yl)benzoyl]pyrrolidine-2-carboxamide?
(2S,4R)-4-fluoro-1-[4-(2-oxopyrrolidin-1-yl)benzoyl]pyrrolidine-2-carboxamide has a molecular weight of 319.34 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-fluoro-1-[4-(2-oxopyrrolidin-1-yl)benzoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 120965396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).