(2S)-N-[(4-fluorophenyl)methyl]-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide

C17H24FN3O2 — CID 75411478

IUPAC(2S)-N-[(4-fluorophenyl)methyl]-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
SMILESCNC(=O)C(C)(C)N1CCC[C@H]1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C17H24FN3O2/c1-17(2,16(23)19-3)21-10-4-5-14(21)15(22)20-11-12-6-8-13(18)9-7-12/h6-9,14H,4-5,10-11H2,1-3H3,(H,19,23)(H,20,22)/t14-/m0/s1
InChIKeyJLUCUQASGIFCSG-AWEZNQCLSA-N
MW321.40 g/mol
LogP1.43
Rot. Bonds5

About (2S)-N-[(4-fluorophenyl)methyl]-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide

(2S)-N-[(4-fluorophenyl)methyl]-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide (PubChem CID 75411478) has the molecular formula C17H24FN3O2 and a molecular weight of 321.40 g/mol. Its IUPAC name is (2S)-N-[(4-fluorophenyl)methyl]-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(4-fluorophenyl)methyl]-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
PubChem CID75411478
Molecular FormulaC17H24FN3O2
Molecular Weight321.40 g/mol
Exact Mass321.19
IUPAC Name(2S)-N-[(4-fluorophenyl)methyl]-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
SMILESCNC(=O)C(C)(C)N1CCC[C@H]1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C17H24FN3O2/c1-17(2,16(23)19-3)21-10-4-5-14(21)15(22)20-11-12-6-8-13(18)9-7-12/h6-9,14H,4-5,10-11H2,1-3H3,(H,19,23)(H,20,22)/t14-/m0/s1
InChIKeyJLUCUQASGIFCSG-AWEZNQCLSA-N
XLogP1.43
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-N-[(4-fluorophenyl)methyl]-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]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

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-fluorophenyl)methyl]-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(4-fluorophenyl)methyl]-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide (CID 75411478) is (2S)-N-[(4-fluorophenyl)methyl]-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(4-fluorophenyl)methyl]-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(4-fluorophenyl)methyl]-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide is CNC(=O)C(C)(C)N1CCC[C@H]1C(=O)NCc1ccc(F)cc1.
What is the InChIKey of (2S)-N-[(4-fluorophenyl)methyl]-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is JLUCUQASGIFCSG-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24FN3O2/c1-17(2,16(23)19-3)21-10-4-5-14(21)15(22)20-11-12-6-8-13(18)9-7-12/h6-9,14H,4-5,10-11H2,1-3H3,(H,19,23)(H,20,22)/t14-/m0/s1.
What are the key properties of (2S)-N-[(4-fluorophenyl)methyl]-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide?
(2S)-N-[(4-fluorophenyl)methyl]-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 321.40 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-fluorophenyl)methyl]-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 75411478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).