(2S,4R)-4-amino-1-[2,4-bis(trifluoromethyl)benzoyl]-N-methylpyrrolidine-2-carboxamide

C15H15F6N3O2 — CID 56748375

IUPAC(2S,4R)-4-amino-1-[2,4-bis(trifluoromethyl)benzoyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C15H15F6N3O2/c1-23-12(25)11-5-8(22)6-24(11)13(26)9-3-2-7(14(16,17)18)4-10(9)15(19,20)21/h2-4,8,11H,5-6,22H2,1H3,(H,23,25)/t8-,11+/m1/s1
InChIKeyZFTSLAJTQODYRM-KCJUWKMLSA-N
MW383.29 g/mol
LogP2.01
Rot. Bonds2

About (2S,4R)-4-amino-1-[2,4-bis(trifluoromethyl)benzoyl]-N-methylpyrrolidine-2-carboxamide

(2S,4R)-4-amino-1-[2,4-bis(trifluoromethyl)benzoyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 56748375) has the molecular formula C15H15F6N3O2 and a molecular weight of 383.29 g/mol. Its IUPAC name is (2S,4R)-4-amino-1-[2,4-bis(trifluoromethyl)benzoyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-amino-1-[2,4-bis(trifluoromethyl)benzoyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID56748375
Molecular FormulaC15H15F6N3O2
Molecular Weight383.29 g/mol
Exact Mass383.11
IUPAC Name(2S,4R)-4-amino-1-[2,4-bis(trifluoromethyl)benzoyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C15H15F6N3O2/c1-23-12(25)11-5-8(22)6-24(11)13(26)9-3-2-7(14(16,17)18)4-10(9)15(19,20)21/h2-4,8,11H,5-6,22H2,1H3,(H,23,25)/t8-,11+/m1/s1
InChIKeyZFTSLAJTQODYRM-KCJUWKMLSA-N
XLogP2.01
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.29
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,4R)-4-amino-1-[2,4-bis(trifluoromethyl)benzoyl]-N-methylpyrrolidine-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,4R)-4-amino-1-[2,4-bis(trifluoromethyl)benzoyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-amino-1-[2,4-bis(trifluoromethyl)benzoyl]-N-methylpyrrolidine-2-carboxamide (CID 56748375) is (2S,4R)-4-amino-1-[2,4-bis(trifluoromethyl)benzoyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-amino-1-[2,4-bis(trifluoromethyl)benzoyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-amino-1-[2,4-bis(trifluoromethyl)benzoyl]-N-methylpyrrolidine-2-carboxamide is CNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1ccc(C(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of (2S,4R)-4-amino-1-[2,4-bis(trifluoromethyl)benzoyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is ZFTSLAJTQODYRM-KCJUWKMLSA-N. The full InChI is InChI=1S/C15H15F6N3O2/c1-23-12(25)11-5-8(22)6-24(11)13(26)9-3-2-7(14(16,17)18)4-10(9)15(19,20)21/h2-4,8,11H,5-6,22H2,1H3,(H,23,25)/t8-,11+/m1/s1.
What are the key properties of (2S,4R)-4-amino-1-[2,4-bis(trifluoromethyl)benzoyl]-N-methylpyrrolidine-2-carboxamide?
(2S,4R)-4-amino-1-[2,4-bis(trifluoromethyl)benzoyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 383.29 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-amino-1-[2,4-bis(trifluoromethyl)benzoyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 56748375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).