2,2-bis(4-fluorophenyl)-N-[2-(2-hydroxypyrrolidin-1-yl)-3-methylbutyl]-N-methylacetamide

C24H30F2N2O2 — CID 19439912

IUPAC2,2-bis(4-fluorophenyl)-N-[2-(2-hydroxypyrrolidin-1-yl)-3-methylbutyl]-N-methylacetamide
SMILESCC(C)C(CN(C)C(=O)C(c1ccc(F)cc1)c1ccc(F)cc1)N1CCCC1O
InChIInChI=1S/C24H30F2N2O2/c1-16(2)21(28-14-4-5-22(28)29)15-27(3)24(30)23(17-6-10-19(25)11-7-17)18-8-12-20(26)13-9-18/h6-13,16,21-23,29H,4-5,14-15H2,1-3H3
InChIKeyMUVIAFQYPCLLJR-UHFFFAOYSA-N
MW416.51 g/mol
LogP3.99
Rot. Bonds7

About 2,2-bis(4-fluorophenyl)-N-[2-(2-hydroxypyrrolidin-1-yl)-3-methylbutyl]-N-methylacetamide

2,2-bis(4-fluorophenyl)-N-[2-(2-hydroxypyrrolidin-1-yl)-3-methylbutyl]-N-methylacetamide (PubChem CID 19439912) has the molecular formula C24H30F2N2O2 and a molecular weight of 416.51 g/mol. Its IUPAC name is 2,2-bis(4-fluorophenyl)-N-[2-(2-hydroxypyrrolidin-1-yl)-3-methylbutyl]-N-methylacetamide.

Molecular Properties

Compound Name2,2-bis(4-fluorophenyl)-N-[2-(2-hydroxypyrrolidin-1-yl)-3-methylbutyl]-N-methylacetamide
PubChem CID19439912
Molecular FormulaC24H30F2N2O2
Molecular Weight416.51 g/mol
Exact Mass416.23
IUPAC Name2,2-bis(4-fluorophenyl)-N-[2-(2-hydroxypyrrolidin-1-yl)-3-methylbutyl]-N-methylacetamide
SMILESCC(C)C(CN(C)C(=O)C(c1ccc(F)cc1)c1ccc(F)cc1)N1CCCC1O
InChIInChI=1S/C24H30F2N2O2/c1-16(2)21(28-14-4-5-22(28)29)15-27(3)24(30)23(17-6-10-19(25)11-7-17)18-8-12-20(26)13-9-18/h6-13,16,21-23,29H,4-5,14-15H2,1-3H3
InChIKeyMUVIAFQYPCLLJR-UHFFFAOYSA-N
XLogP3.99
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(4-fluorophenyl)-N-[2-(2-hydroxypyrrolidin-1-yl)-3-methylbutyl]-N-methylacetamide?
The IUPAC name of 2,2-bis(4-fluorophenyl)-N-[2-(2-hydroxypyrrolidin-1-yl)-3-methylbutyl]-N-methylacetamide (CID 19439912) is 2,2-bis(4-fluorophenyl)-N-[2-(2-hydroxypyrrolidin-1-yl)-3-methylbutyl]-N-methylacetamide.
What is the SMILES notation for 2,2-bis(4-fluorophenyl)-N-[2-(2-hydroxypyrrolidin-1-yl)-3-methylbutyl]-N-methylacetamide?
The canonical SMILES for 2,2-bis(4-fluorophenyl)-N-[2-(2-hydroxypyrrolidin-1-yl)-3-methylbutyl]-N-methylacetamide is CC(C)C(CN(C)C(=O)C(c1ccc(F)cc1)c1ccc(F)cc1)N1CCCC1O.
What is the InChIKey of 2,2-bis(4-fluorophenyl)-N-[2-(2-hydroxypyrrolidin-1-yl)-3-methylbutyl]-N-methylacetamide?
The InChIKey is MUVIAFQYPCLLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F2N2O2/c1-16(2)21(28-14-4-5-22(28)29)15-27(3)24(30)23(17-6-10-19(25)11-7-17)18-8-12-20(26)13-9-18/h6-13,16,21-23,29H,4-5,14-15H2,1-3H3.
What are the key properties of 2,2-bis(4-fluorophenyl)-N-[2-(2-hydroxypyrrolidin-1-yl)-3-methylbutyl]-N-methylacetamide?
2,2-bis(4-fluorophenyl)-N-[2-(2-hydroxypyrrolidin-1-yl)-3-methylbutyl]-N-methylacetamide has a molecular weight of 416.51 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(4-fluorophenyl)-N-[2-(2-hydroxypyrrolidin-1-yl)-3-methylbutyl]-N-methylacetamide is sourced from PubChem (CID 19439912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).