(3S,4S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-methyl-3-phenyl-N-propan-2-ylpyrrolidine-1-carboxamide

C24H26F6N2O2 — CID 134506894

IUPAC(3S,4S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-methyl-3-phenyl-N-propan-2-ylpyrrolidine-1-carboxamide
SMILESCC(C)NC(=O)N1C[C@@H](c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)[C@@](C)(c2ccccc2)C1
InChIInChI=1S/C24H26F6N2O2/c1-15(2)31-20(33)32-13-19(21(3,14-32)17-7-5-4-6-8-17)16-9-11-18(12-10-16)22(34,23(25,26)27)24(28,29)30/h4-12,15,19,34H,13-14H2,1-3H3,(H,31,33)/t19-,21+/m0/s1
InChIKeyVVAZODDXYNSFOO-PZJWPPBQSA-N
MW488.47 g/mol
LogP5.47
Rot. Bonds4

About (3S,4S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-methyl-3-phenyl-N-propan-2-ylpyrrolidine-1-carboxamide

(3S,4S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-methyl-3-phenyl-N-propan-2-ylpyrrolidine-1-carboxamide (PubChem CID 134506894) has the molecular formula C24H26F6N2O2 and a molecular weight of 488.47 g/mol. Its IUPAC name is (3S,4S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-methyl-3-phenyl-N-propan-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S,4S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-methyl-3-phenyl-N-propan-2-ylpyrrolidine-1-carboxamide
PubChem CID134506894
Molecular FormulaC24H26F6N2O2
Molecular Weight488.47 g/mol
Exact Mass488.19
IUPAC Name(3S,4S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-methyl-3-phenyl-N-propan-2-ylpyrrolidine-1-carboxamide
SMILESCC(C)NC(=O)N1C[C@@H](c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)[C@@](C)(c2ccccc2)C1
InChIInChI=1S/C24H26F6N2O2/c1-15(2)31-20(33)32-13-19(21(3,14-32)17-7-5-4-6-8-17)16-9-11-18(12-10-16)22(34,23(25,26)27)24(28,29)30/h4-12,15,19,34H,13-14H2,1-3H3,(H,31,33)/t19-,21+/m0/s1
InChIKeyVVAZODDXYNSFOO-PZJWPPBQSA-N
XLogP5.47
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.47
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3S,4S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-methyl-3-phenyl-N-propan-2-ylpyrrolidine-1-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 (3S,4S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-methyl-3-phenyl-N-propan-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of (3S,4S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-methyl-3-phenyl-N-propan-2-ylpyrrolidine-1-carboxamide (CID 134506894) is (3S,4S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-methyl-3-phenyl-N-propan-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for (3S,4S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-methyl-3-phenyl-N-propan-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for (3S,4S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-methyl-3-phenyl-N-propan-2-ylpyrrolidine-1-carboxamide is CC(C)NC(=O)N1C[C@@H](c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)[C@@](C)(c2ccccc2)C1.
What is the InChIKey of (3S,4S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-methyl-3-phenyl-N-propan-2-ylpyrrolidine-1-carboxamide?
The InChIKey is VVAZODDXYNSFOO-PZJWPPBQSA-N. The full InChI is InChI=1S/C24H26F6N2O2/c1-15(2)31-20(33)32-13-19(21(3,14-32)17-7-5-4-6-8-17)16-9-11-18(12-10-16)22(34,23(25,26)27)24(28,29)30/h4-12,15,19,34H,13-14H2,1-3H3,(H,31,33)/t19-,21+/m0/s1.
What are the key properties of (3S,4S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-methyl-3-phenyl-N-propan-2-ylpyrrolidine-1-carboxamide?
(3S,4S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-methyl-3-phenyl-N-propan-2-ylpyrrolidine-1-carboxamide has a molecular weight of 488.47 g/mol, XLogP of 5.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-methyl-3-phenyl-N-propan-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 134506894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).