N-(2-hydroxyethyl)-5-oxo-N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

C12H19F3N2O3 — CID 43573450

IUPACN-(2-hydroxyethyl)-5-oxo-N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCC(C)N(CCO)C(=O)C1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C12H19F3N2O3/c1-8(2)17(3-4-18)11(20)9-5-10(19)16(6-9)7-12(13,14)15/h8-9,18H,3-7H2,1-2H3
InChIKeyWPHXDXGPQGJBMO-UHFFFAOYSA-N
MW296.29 g/mol
LogP0.63
Rot. Bonds5

About N-(2-hydroxyethyl)-5-oxo-N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

N-(2-hydroxyethyl)-5-oxo-N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 43573450) has the molecular formula C12H19F3N2O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-5-oxo-N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-5-oxo-N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID43573450
Molecular FormulaC12H19F3N2O3
Molecular Weight296.29 g/mol
Exact Mass296.13
IUPAC NameN-(2-hydroxyethyl)-5-oxo-N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCC(C)N(CCO)C(=O)C1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C12H19F3N2O3/c1-8(2)17(3-4-18)11(20)9-5-10(19)16(6-9)7-12(13,14)15/h8-9,18H,3-7H2,1-2H3
InChIKeyWPHXDXGPQGJBMO-UHFFFAOYSA-N
XLogP0.63
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyethyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 43419594
N-(1-hydroxybutan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 43419704
N-(1-hydroxypropan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 43427756
N-(1-hydroxy-2-methylpropan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 43500686
N-cyclopropyl-N-(2-hydroxyethyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 43576599
N-(2-hydroxypropyl)-N-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 55060626
4-(3-Hydroxyazetidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 55179168
3-[Ethyl(2-hydroxyethyl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 60296308
N-(2-hydroxyethyl)-N-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 60749980
2-[[5-Oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]-propan-2-ylamino]acetic acid
CID 60831352
N-(3-hydroxypropyl)-5-oxo-N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 61038581
N,N-bis(2-hydroxyethyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 61233794

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-5-oxo-N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-5-oxo-N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 43573450) is N-(2-hydroxyethyl)-5-oxo-N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-5-oxo-N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-5-oxo-N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is CC(C)N(CCO)C(=O)C1CC(=O)N(CC(F)(F)F)C1.
What is the InChIKey of N-(2-hydroxyethyl)-5-oxo-N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is WPHXDXGPQGJBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O3/c1-8(2)17(3-4-18)11(20)9-5-10(19)16(6-9)7-12(13,14)15/h8-9,18H,3-7H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-5-oxo-N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
N-(2-hydroxyethyl)-5-oxo-N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 296.29 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-5-oxo-N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 43573450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).