N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-2-[2-(trifluoromethyl)phenyl]acetamide

C22H25F3N2O — CID 10410240

IUPACN-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-2-[2-(trifluoromethyl)phenyl]acetamide
SMILESCN(C(=O)Cc1ccccc1C(F)(F)F)[C@H](CN1CCCC1)c1ccccc1
InChIInChI=1S/C22H25F3N2O/c1-26(21(28)15-18-11-5-6-12-19(18)22(23,24)25)20(16-27-13-7-8-14-27)17-9-3-2-4-10-17/h2-6,9-12,20H,7-8,13-16H2,1H3/t20-/m1/s1
InChIKeySDOIBPHVEMUMEJ-HXUWFJFHSA-N
MW390.45 g/mol
LogP4.54
Rot. Bonds6

About N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-2-[2-(trifluoromethyl)phenyl]acetamide

N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-2-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 10410240) has the molecular formula C22H25F3N2O and a molecular weight of 390.45 g/mol. Its IUPAC name is N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-2-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-2-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID10410240
Molecular FormulaC22H25F3N2O
Molecular Weight390.45 g/mol
Exact Mass390.19
IUPAC NameN-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-2-[2-(trifluoromethyl)phenyl]acetamide
SMILESCN(C(=O)Cc1ccccc1C(F)(F)F)[C@H](CN1CCCC1)c1ccccc1
InChIInChI=1S/C22H25F3N2O/c1-26(21(28)15-18-11-5-6-12-19(18)22(23,24)25)20(16-27-13-7-8-14-27)17-9-3-2-4-10-17/h2-6,9-12,20H,7-8,13-16H2,1H3/t20-/m1/s1
InChIKeySDOIBPHVEMUMEJ-HXUWFJFHSA-N
XLogP4.54
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-2-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-2-[2-(trifluoromethyl)phenyl]acetamide (CID 10410240) is N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-2-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-2-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-2-[2-(trifluoromethyl)phenyl]acetamide is CN(C(=O)Cc1ccccc1C(F)(F)F)[C@H](CN1CCCC1)c1ccccc1.
What is the InChIKey of N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-2-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is SDOIBPHVEMUMEJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H25F3N2O/c1-26(21(28)15-18-11-5-6-12-19(18)22(23,24)25)20(16-27-13-7-8-14-27)17-9-3-2-4-10-17/h2-6,9-12,20H,7-8,13-16H2,1H3/t20-/m1/s1.
What are the key properties of N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-2-[2-(trifluoromethyl)phenyl]acetamide?
N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-2-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 390.45 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-2-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 10410240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).