2-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]-N-[(3S,4R)-4-(4-fluorophenyl)pyrrolidin-3-yl]-N,2-dimethylpropanamide

C23H25F5N2O — CID 70794447

IUPAC2-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]-N-[(3S,4R)-4-(4-fluorophenyl)pyrrolidin-3-yl]-N,2-dimethylpropanamide
SMILESCN(C(=O)C(C)(C)c1cc(CF)cc(C(F)(F)F)c1)[C@@H]1CNC[C@H]1c1ccc(F)cc1
InChIInChI=1S/C23H25F5N2O/c1-22(2,16-8-14(11-24)9-17(10-16)23(26,27)28)21(31)30(3)20-13-29-12-19(20)15-4-6-18(25)7-5-15/h4-10,19-20,29H,11-13H2,1-3H3/t19-,20+/m0/s1
InChIKeyOZXQVROPFYYJCB-VQTJNVASSA-N
MW440.46 g/mol
LogP4.81
Rot. Bonds5

About 2-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]-N-[(3S,4R)-4-(4-fluorophenyl)pyrrolidin-3-yl]-N,2-dimethylpropanamide

2-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]-N-[(3S,4R)-4-(4-fluorophenyl)pyrrolidin-3-yl]-N,2-dimethylpropanamide (PubChem CID 70794447) has the molecular formula C23H25F5N2O and a molecular weight of 440.46 g/mol. Its IUPAC name is 2-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]-N-[(3S,4R)-4-(4-fluorophenyl)pyrrolidin-3-yl]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name2-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]-N-[(3S,4R)-4-(4-fluorophenyl)pyrrolidin-3-yl]-N,2-dimethylpropanamide
PubChem CID70794447
Molecular FormulaC23H25F5N2O
Molecular Weight440.46 g/mol
Exact Mass440.19
IUPAC Name2-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]-N-[(3S,4R)-4-(4-fluorophenyl)pyrrolidin-3-yl]-N,2-dimethylpropanamide
SMILESCN(C(=O)C(C)(C)c1cc(CF)cc(C(F)(F)F)c1)[C@@H]1CNC[C@H]1c1ccc(F)cc1
InChIInChI=1S/C23H25F5N2O/c1-22(2,16-8-14(11-24)9-17(10-16)23(26,27)28)21(31)30(3)20-13-29-12-19(20)15-4-6-18(25)7-5-15/h4-10,19-20,29H,11-13H2,1-3H3/t19-,20+/m0/s1
InChIKeyOZXQVROPFYYJCB-VQTJNVASSA-N
XLogP4.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.46
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]-N-[(3S,4R)-4-(4-fluorophenyl)pyrrolidin-3-yl]-N,2-dimethylpropanamide 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 2-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]-N-[(3S,4R)-4-(4-fluorophenyl)pyrrolidin-3-yl]-N,2-dimethylpropanamide?
The IUPAC name of 2-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]-N-[(3S,4R)-4-(4-fluorophenyl)pyrrolidin-3-yl]-N,2-dimethylpropanamide (CID 70794447) is 2-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]-N-[(3S,4R)-4-(4-fluorophenyl)pyrrolidin-3-yl]-N,2-dimethylpropanamide.
What is the SMILES notation for 2-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]-N-[(3S,4R)-4-(4-fluorophenyl)pyrrolidin-3-yl]-N,2-dimethylpropanamide?
The canonical SMILES for 2-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]-N-[(3S,4R)-4-(4-fluorophenyl)pyrrolidin-3-yl]-N,2-dimethylpropanamide is CN(C(=O)C(C)(C)c1cc(CF)cc(C(F)(F)F)c1)[C@@H]1CNC[C@H]1c1ccc(F)cc1.
What is the InChIKey of 2-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]-N-[(3S,4R)-4-(4-fluorophenyl)pyrrolidin-3-yl]-N,2-dimethylpropanamide?
The InChIKey is OZXQVROPFYYJCB-VQTJNVASSA-N. The full InChI is InChI=1S/C23H25F5N2O/c1-22(2,16-8-14(11-24)9-17(10-16)23(26,27)28)21(31)30(3)20-13-29-12-19(20)15-4-6-18(25)7-5-15/h4-10,19-20,29H,11-13H2,1-3H3/t19-,20+/m0/s1.
What are the key properties of 2-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]-N-[(3S,4R)-4-(4-fluorophenyl)pyrrolidin-3-yl]-N,2-dimethylpropanamide?
2-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]-N-[(3S,4R)-4-(4-fluorophenyl)pyrrolidin-3-yl]-N,2-dimethylpropanamide has a molecular weight of 440.46 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]-N-[(3S,4R)-4-(4-fluorophenyl)pyrrolidin-3-yl]-N,2-dimethylpropanamide is sourced from PubChem (CID 70794447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).