(3R)-N-[5-fluoro-2-(2-methylimidazol-1-yl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

C18H21FN4O2 — CID 95287370

IUPAC(3R)-N-[5-fluoro-2-(2-methylimidazol-1-yl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCc1nccn1-c1ccc(F)cc1NC(=O)[C@@H]1CC(=O)N(C(C)C)C1
InChIInChI=1S/C18H21FN4O2/c1-11(2)23-10-13(8-17(23)24)18(25)21-15-9-14(19)4-5-16(15)22-7-6-20-12(22)3/h4-7,9,11,13H,8,10H2,1-3H3,(H,21,25)/t13-/m1/s1
InChIKeyOLIIQOPMFXBSFS-CYBMUJFWSA-N
MW344.39 g/mol
LogP2.52
Rot. Bonds4

About (3R)-N-[5-fluoro-2-(2-methylimidazol-1-yl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

(3R)-N-[5-fluoro-2-(2-methylimidazol-1-yl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 95287370) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is (3R)-N-[5-fluoro-2-(2-methylimidazol-1-yl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[5-fluoro-2-(2-methylimidazol-1-yl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID95287370
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name(3R)-N-[5-fluoro-2-(2-methylimidazol-1-yl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCc1nccn1-c1ccc(F)cc1NC(=O)[C@@H]1CC(=O)N(C(C)C)C1
InChIInChI=1S/C18H21FN4O2/c1-11(2)23-10-13(8-17(23)24)18(25)21-15-9-14(19)4-5-16(15)22-7-6-20-12(22)3/h4-7,9,11,13H,8,10H2,1-3H3,(H,21,25)/t13-/m1/s1
InChIKeyOLIIQOPMFXBSFS-CYBMUJFWSA-N
XLogP2.52
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-N-[5-fluoro-2-(2-methylimidazol-1-yl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-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 (3R)-N-[5-fluoro-2-(2-methylimidazol-1-yl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[5-fluoro-2-(2-methylimidazol-1-yl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (CID 95287370) is (3R)-N-[5-fluoro-2-(2-methylimidazol-1-yl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[5-fluoro-2-(2-methylimidazol-1-yl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[5-fluoro-2-(2-methylimidazol-1-yl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is Cc1nccn1-c1ccc(F)cc1NC(=O)[C@@H]1CC(=O)N(C(C)C)C1.
What is the InChIKey of (3R)-N-[5-fluoro-2-(2-methylimidazol-1-yl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is OLIIQOPMFXBSFS-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-11(2)23-10-13(8-17(23)24)18(25)21-15-9-14(19)4-5-16(15)22-7-6-20-12(22)3/h4-7,9,11,13H,8,10H2,1-3H3,(H,21,25)/t13-/m1/s1.
What are the key properties of (3R)-N-[5-fluoro-2-(2-methylimidazol-1-yl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
(3R)-N-[5-fluoro-2-(2-methylimidazol-1-yl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 344.39 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[5-fluoro-2-(2-methylimidazol-1-yl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 95287370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).