2,2,2-trifluoro-N-[4-phenyl-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide

C20H21F3N2O — CID 174715188

IUPAC2,2,2-trifluoro-N-[4-phenyl-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide
SMILESO=C(NC1CN(CCc2ccccc2)CC1c1ccccc1)C(F)(F)F
InChIInChI=1S/C20H21F3N2O/c21-20(22,23)19(26)24-18-14-25(12-11-15-7-3-1-4-8-15)13-17(18)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2,(H,24,26)
InChIKeySPRNDOFXCQTVMH-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.38
Rot. Bonds5

About 2,2,2-trifluoro-N-[4-phenyl-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide

2,2,2-trifluoro-N-[4-phenyl-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide (PubChem CID 174715188) has the molecular formula C20H21F3N2O and a molecular weight of 362.39 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[4-phenyl-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[4-phenyl-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide
PubChem CID174715188
Molecular FormulaC20H21F3N2O
Molecular Weight362.39 g/mol
Exact Mass362.16
IUPAC Name2,2,2-trifluoro-N-[4-phenyl-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide
SMILESO=C(NC1CN(CCc2ccccc2)CC1c1ccccc1)C(F)(F)F
InChIInChI=1S/C20H21F3N2O/c21-20(22,23)19(26)24-18-14-25(12-11-15-7-3-1-4-8-15)13-17(18)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2,(H,24,26)
InChIKeySPRNDOFXCQTVMH-UHFFFAOYSA-N
XLogP3.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-bis[(3R,4S)-1-benzyl-4-phenylpyrrolidin-3-yl]urea
CID 102127410
2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
CID 92859467
[(3R,4R)-4-phenyl-1-(2-phenylethyl)pyrrolidin-3-yl]methanamine
CID 120759911
tert-butyl N-[(3R,4R)-1-benzyl-4-phenylpyrrolidin-3-yl]carbamate
CID 124748766
N-[(3S,4R)-1-benzyl-4-phenylpyrrolidin-3-yl]-2-chloropropanamide
CID 146098682
[(3S)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]urea
CID 144628967
tert-butyl N-[4-phenyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]carbamate
CID 175382566
[(3S,4R)-1-benzyl-4-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]carbamic acid
CID 151276390
tert-butyl 3-phenyl-4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylate
CID 134278871
(3S,4S)-1-(2-phenylethyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylate
CID 150040902
4-[[[(3S,4R)-4-phenyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]methyl]benzoic acid
CID 122035205
N-[(3S,4S)-1-(2-cyanoethyl)-4-(4-fluorophenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide
CID 129379016

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[4-phenyl-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[4-phenyl-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide (CID 174715188) is 2,2,2-trifluoro-N-[4-phenyl-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[4-phenyl-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[4-phenyl-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide is O=C(NC1CN(CCc2ccccc2)CC1c1ccccc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[4-phenyl-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide?
The InChIKey is SPRNDOFXCQTVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O/c21-20(22,23)19(26)24-18-14-25(12-11-15-7-3-1-4-8-15)13-17(18)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2,(H,24,26).
What are the key properties of 2,2,2-trifluoro-N-[4-phenyl-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide?
2,2,2-trifluoro-N-[4-phenyl-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide has a molecular weight of 362.39 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[4-phenyl-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 174715188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).