N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

C12H20F2N2O3 — CID 107482904

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)N1CC(C(=O)N(CCO)CC(F)F)CC1=O
InChIInChI=1S/C12H20F2N2O3/c1-8(2)16-6-9(5-11(16)18)12(19)15(3-4-17)7-10(13)14/h8-10,17H,3-7H2,1-2H3
InChIKeySOMXGSGJQCTWGA-UHFFFAOYSA-N
MW278.30 g/mol
LogP0.33
Rot. Bonds6

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 107482904) has the molecular formula C12H20F2N2O3 and a molecular weight of 278.30 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID107482904
Molecular FormulaC12H20F2N2O3
Molecular Weight278.30 g/mol
Exact Mass278.14
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)N1CC(C(=O)N(CCO)CC(F)F)CC1=O
InChIInChI=1S/C12H20F2N2O3/c1-8(2)16-6-9(5-11(16)18)12(19)15(3-4-17)7-10(13)14/h8-10,17H,3-7H2,1-2H3
InChIKeySOMXGSGJQCTWGA-UHFFFAOYSA-N
XLogP0.33
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 50.33
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-(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
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

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (CID 107482904) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is CC(C)N1CC(C(=O)N(CCO)CC(F)F)CC1=O.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is SOMXGSGJQCTWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N2O3/c1-8(2)16-6-9(5-11(16)18)12(19)15(3-4-17)7-10(13)14/h8-10,17H,3-7H2,1-2H3.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 278.30 g/mol, XLogP of 0.33, 6 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)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 107482904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).