2-amino-2-phenyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propanamide

C16H22F3N3O — CID 120595588

IUPAC2-amino-2-phenyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propanamide
SMILESCC(N)(C(=O)NCC1CCN(CC(F)(F)F)C1)c1ccccc1
InChIInChI=1S/C16H22F3N3O/c1-15(20,13-5-3-2-4-6-13)14(23)21-9-12-7-8-22(10-12)11-16(17,18)19/h2-6,12H,7-11,20H2,1H3,(H,21,23)
InChIKeyBCGOOLGDHWRNIV-UHFFFAOYSA-N
MW329.37 g/mol
LogP1.86
Rot. Bonds5

About 2-amino-2-phenyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propanamide

2-amino-2-phenyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propanamide (PubChem CID 120595588) has the molecular formula C16H22F3N3O and a molecular weight of 329.37 g/mol. Its IUPAC name is 2-amino-2-phenyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propanamide.

Molecular Properties

Compound Name2-amino-2-phenyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propanamide
PubChem CID120595588
Molecular FormulaC16H22F3N3O
Molecular Weight329.37 g/mol
Exact Mass329.17
IUPAC Name2-amino-2-phenyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propanamide
SMILESCC(N)(C(=O)NCC1CCN(CC(F)(F)F)C1)c1ccccc1
InChIInChI=1S/C16H22F3N3O/c1-15(20,13-5-3-2-4-6-13)14(23)21-9-12-7-8-22(10-12)11-16(17,18)19/h2-6,12H,7-11,20H2,1H3,(H,21,23)
InChIKeyBCGOOLGDHWRNIV-UHFFFAOYSA-N
XLogP1.86
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-phenyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]propanamide
CID 120597411
2-amino-2-phenyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide
CID 122084249
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]benzamide
CID 61245229
2-amino-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-2-phenylpropanamide
CID 120595902
2-amino-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-phenylpropanamide;dihydrochloride
CID 120595897
1-(2-ethyl-2-phenylbutyl)-2-methyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine
CID 111694590
1-benzyl-2-methyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine;hydroiodide
CID 110954003
2-amino-3-phenyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propanamide;dihydrochloride
CID 119854666
2-amino-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-phenylpropanamide;dihydrochloride
CID 120596259
2-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide
CID 50989385
N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-2,2,2-trifluoroacetamide
CID 124514796
2-amino-N-[(3-hydroxycyclohexyl)methyl]-2-phenylpropanamide
CID 106135154

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-phenyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propanamide?
The IUPAC name of 2-amino-2-phenyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propanamide (CID 120595588) is 2-amino-2-phenyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propanamide.
What is the SMILES notation for 2-amino-2-phenyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propanamide?
The canonical SMILES for 2-amino-2-phenyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propanamide is CC(N)(C(=O)NCC1CCN(CC(F)(F)F)C1)c1ccccc1.
What is the InChIKey of 2-amino-2-phenyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propanamide?
The InChIKey is BCGOOLGDHWRNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O/c1-15(20,13-5-3-2-4-6-13)14(23)21-9-12-7-8-22(10-12)11-16(17,18)19/h2-6,12H,7-11,20H2,1H3,(H,21,23).
What are the key properties of 2-amino-2-phenyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propanamide?
2-amino-2-phenyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propanamide has a molecular weight of 329.37 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-phenyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propanamide is sourced from PubChem (CID 120595588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).