1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-N,N-dimethylpyrrolidine-2-carboxamide

C15H20F2N2O2 — CID 110898388

IUPAC1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1CC(O)c1c(F)cccc1F
InChIInChI=1S/C15H20F2N2O2/c1-18(2)15(21)12-7-4-8-19(12)9-13(20)14-10(16)5-3-6-11(14)17/h3,5-6,12-13,20H,4,7-9H2,1-2H3
InChIKeyAPVWVRQIJCIDIY-UHFFFAOYSA-N
MW298.33 g/mol
LogP1.55
Rot. Bonds4

About 1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-N,N-dimethylpyrrolidine-2-carboxamide

1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 110898388) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is 1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID110898388
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC Name1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1CC(O)c1c(F)cccc1F
InChIInChI=1S/C15H20F2N2O2/c1-18(2)15(21)12-7-4-8-19(12)9-13(20)14-10(16)5-3-6-11(14)17/h3,5-6,12-13,20H,4,7-9H2,1-2H3
InChIKeyAPVWVRQIJCIDIY-UHFFFAOYSA-N
XLogP1.55
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-N,N-dimethylpyrrolidine-2-carboxamide (CID 110898388) is 1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-N,N-dimethylpyrrolidine-2-carboxamide is CN(C)C(=O)C1CCCN1CC(O)c1c(F)cccc1F.
What is the InChIKey of 1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is APVWVRQIJCIDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c1-18(2)15(21)12-7-4-8-19(12)9-13(20)14-10(16)5-3-6-11(14)17/h3,5-6,12-13,20H,4,7-9H2,1-2H3.
What are the key properties of 1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-N,N-dimethylpyrrolidine-2-carboxamide?
1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 298.33 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 110898388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).