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

C25H32F2N2O2 — CID 19439883

IUPAC2,2-bis(4-fluorophenyl)-N-[2-(2-hydroxypyrrolidin-1-yl)-3-methylbutyl]-N-methylpropanamide
SMILESCC(C)C(CN(C)C(=O)C(C)(c1ccc(F)cc1)c1ccc(F)cc1)N1CCCC1O
InChIInChI=1S/C25H32F2N2O2/c1-17(2)22(29-15-5-6-23(29)30)16-28(4)24(31)25(3,18-7-11-20(26)12-8-18)19-9-13-21(27)14-10-19/h7-14,17,22-23,30H,5-6,15-16H2,1-4H3
InChIKeyCSWNCJFLLSDCKU-UHFFFAOYSA-N
MW430.54 g/mol
LogP4.17
Rot. Bonds7

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

2,2-bis(4-fluorophenyl)-N-[2-(2-hydroxypyrrolidin-1-yl)-3-methylbutyl]-N-methylpropanamide (PubChem CID 19439883) has the molecular formula C25H32F2N2O2 and a molecular weight of 430.54 g/mol. Its IUPAC name is 2,2-bis(4-fluorophenyl)-N-[2-(2-hydroxypyrrolidin-1-yl)-3-methylbutyl]-N-methylpropanamide.

Molecular Properties

Compound Name2,2-bis(4-fluorophenyl)-N-[2-(2-hydroxypyrrolidin-1-yl)-3-methylbutyl]-N-methylpropanamide
PubChem CID19439883
Molecular FormulaC25H32F2N2O2
Molecular Weight430.54 g/mol
Exact Mass430.24
IUPAC Name2,2-bis(4-fluorophenyl)-N-[2-(2-hydroxypyrrolidin-1-yl)-3-methylbutyl]-N-methylpropanamide
SMILESCC(C)C(CN(C)C(=O)C(C)(c1ccc(F)cc1)c1ccc(F)cc1)N1CCCC1O
InChIInChI=1S/C25H32F2N2O2/c1-17(2)22(29-15-5-6-23(29)30)16-28(4)24(31)25(3,18-7-11-20(26)12-8-18)19-9-13-21(27)14-10-19/h7-14,17,22-23,30H,5-6,15-16H2,1-4H3
InChIKeyCSWNCJFLLSDCKU-UHFFFAOYSA-N
XLogP4.17
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.54
LogP ≤ 54.17
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-methylpropanamide?
The IUPAC name of 2,2-bis(4-fluorophenyl)-N-[2-(2-hydroxypyrrolidin-1-yl)-3-methylbutyl]-N-methylpropanamide (CID 19439883) is 2,2-bis(4-fluorophenyl)-N-[2-(2-hydroxypyrrolidin-1-yl)-3-methylbutyl]-N-methylpropanamide.
What is the SMILES notation for 2,2-bis(4-fluorophenyl)-N-[2-(2-hydroxypyrrolidin-1-yl)-3-methylbutyl]-N-methylpropanamide?
The canonical SMILES for 2,2-bis(4-fluorophenyl)-N-[2-(2-hydroxypyrrolidin-1-yl)-3-methylbutyl]-N-methylpropanamide is CC(C)C(CN(C)C(=O)C(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-methylpropanamide?
The InChIKey is CSWNCJFLLSDCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F2N2O2/c1-17(2)22(29-15-5-6-23(29)30)16-28(4)24(31)25(3,18-7-11-20(26)12-8-18)19-9-13-21(27)14-10-19/h7-14,17,22-23,30H,5-6,15-16H2,1-4H3.
What are the key properties of 2,2-bis(4-fluorophenyl)-N-[2-(2-hydroxypyrrolidin-1-yl)-3-methylbutyl]-N-methylpropanamide?
2,2-bis(4-fluorophenyl)-N-[2-(2-hydroxypyrrolidin-1-yl)-3-methylbutyl]-N-methylpropanamide has a molecular weight of 430.54 g/mol, XLogP of 4.17, 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-methylpropanamide is sourced from PubChem (CID 19439883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).