N-(2,2-difluoro-3-hydroxypropyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide

C12H20F2N2O3 — CID 104858304

IUPACN-(2,2-difluoro-3-hydroxypropyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CN1CC(C(=O)NCC(F)(F)CO)CC1=O
InChIInChI=1S/C12H20F2N2O3/c1-8(2)4-16-5-9(3-10(16)18)11(19)15-6-12(13,14)7-17/h8-9,17H,3-7H2,1-2H3,(H,15,19)
InChIKeyQIMVEPMAIYHMPQ-UHFFFAOYSA-N
MW278.30 g/mol
LogP0.23
Rot. Bonds6

About N-(2,2-difluoro-3-hydroxypropyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide

N-(2,2-difluoro-3-hydroxypropyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 104858304) has the molecular formula C12H20F2N2O3 and a molecular weight of 278.30 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID104858304
Molecular FormulaC12H20F2N2O3
Molecular Weight278.30 g/mol
Exact Mass278.14
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CN1CC(C(=O)NCC(F)(F)CO)CC1=O
InChIInChI=1S/C12H20F2N2O3/c1-8(2)4-16-5-9(3-10(16)18)11(19)15-6-12(13,14)7-17/h8-9,17H,3-7H2,1-2H3,(H,15,19)
InChIKeyQIMVEPMAIYHMPQ-UHFFFAOYSA-N
XLogP0.23
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide (CID 104858304) is N-(2,2-difluoro-3-hydroxypropyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide is CC(C)CN1CC(C(=O)NCC(F)(F)CO)CC1=O.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QIMVEPMAIYHMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N2O3/c1-8(2)4-16-5-9(3-10(16)18)11(19)15-6-12(13,14)7-17/h8-9,17H,3-7H2,1-2H3,(H,15,19).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
N-(2,2-difluoro-3-hydroxypropyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 278.30 g/mol, XLogP of 0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 104858304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).