N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide

C13H22F2N2O3 — CID 107483144

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CN1CC(C(=O)N(CCO)CC(F)F)CC1=O
InChIInChI=1S/C13H22F2N2O3/c1-9(2)6-17-7-10(5-12(17)19)13(20)16(3-4-18)8-11(14)15/h9-11,18H,3-8H2,1-2H3
InChIKeyUJMCCIHKEDBVJW-UHFFFAOYSA-N
MW292.33 g/mol
LogP0.58
Rot. Bonds7

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 107483144) has the molecular formula C13H22F2N2O3 and a molecular weight of 292.33 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID107483144
Molecular FormulaC13H22F2N2O3
Molecular Weight292.33 g/mol
Exact Mass292.16
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CN1CC(C(=O)N(CCO)CC(F)F)CC1=O
InChIInChI=1S/C13H22F2N2O3/c1-9(2)6-17-7-10(5-12(17)19)13(20)16(3-4-18)8-11(14)15/h9-11,18H,3-8H2,1-2H3
InChIKeyUJMCCIHKEDBVJW-UHFFFAOYSA-N
XLogP0.58
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-Difluoro-1-(2-hydroxyethyl)-3,4-dimethylpyrrolidine-2,5-dione
CID 58590238
1-(2-Hydroxyethyl)-3,4-dimethyl-3-(trifluoromethyl)pyrrolidine-2,5-dione
CID 58590250
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-(2-hydroxypropyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 43427732
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-(2-hydroxyethyl)-5-oxo-N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 43573450
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
N-(2-hydroxyethyl)-N-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 60749980

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide (CID 107483144) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide is CC(C)CN1CC(C(=O)N(CCO)CC(F)F)CC1=O.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is UJMCCIHKEDBVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2N2O3/c1-9(2)6-17-7-10(5-12(17)19)13(20)16(3-4-18)8-11(14)15/h9-11,18H,3-8H2,1-2H3.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 292.33 g/mol, XLogP of 0.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 107483144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).