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

C26H34F2N2O2 — CID 19439997

IUPAC2,2-bis(4-fluorophenyl)-N-[2-(2-hydroxypyrrolidin-1-yl)-4-methylpentyl]-N-methylpropanamide
SMILESCC(C)CC(CN(C)C(=O)C(C)(c1ccc(F)cc1)c1ccc(F)cc1)N1CCCC1O
InChIInChI=1S/C26H34F2N2O2/c1-18(2)16-23(30-15-5-6-24(30)31)17-29(4)25(32)26(3,19-7-11-21(27)12-8-19)20-9-13-22(28)14-10-20/h7-14,18,23-24,31H,5-6,15-17H2,1-4H3
InChIKeyYNFWGHRSFLQQGL-UHFFFAOYSA-N
MW444.57 g/mol
LogP4.56
Rot. Bonds8

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

2,2-bis(4-fluorophenyl)-N-[2-(2-hydroxypyrrolidin-1-yl)-4-methylpentyl]-N-methylpropanamide (PubChem CID 19439997) has the molecular formula C26H34F2N2O2 and a molecular weight of 444.57 g/mol. Its IUPAC name is 2,2-bis(4-fluorophenyl)-N-[2-(2-hydroxypyrrolidin-1-yl)-4-methylpentyl]-N-methylpropanamide.

Molecular Properties

Compound Name2,2-bis(4-fluorophenyl)-N-[2-(2-hydroxypyrrolidin-1-yl)-4-methylpentyl]-N-methylpropanamide
PubChem CID19439997
Molecular FormulaC26H34F2N2O2
Molecular Weight444.57 g/mol
Exact Mass444.26
IUPAC Name2,2-bis(4-fluorophenyl)-N-[2-(2-hydroxypyrrolidin-1-yl)-4-methylpentyl]-N-methylpropanamide
SMILESCC(C)CC(CN(C)C(=O)C(C)(c1ccc(F)cc1)c1ccc(F)cc1)N1CCCC1O
InChIInChI=1S/C26H34F2N2O2/c1-18(2)16-23(30-15-5-6-24(30)31)17-29(4)25(32)26(3,19-7-11-21(27)12-8-19)20-9-13-22(28)14-10-20/h7-14,18,23-24,31H,5-6,15-17H2,1-4H3
InChIKeyYNFWGHRSFLQQGL-UHFFFAOYSA-N
XLogP4.56
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.57
LogP ≤ 54.56
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)-4-methylpentyl]-N-methylpropanamide?
The IUPAC name of 2,2-bis(4-fluorophenyl)-N-[2-(2-hydroxypyrrolidin-1-yl)-4-methylpentyl]-N-methylpropanamide (CID 19439997) is 2,2-bis(4-fluorophenyl)-N-[2-(2-hydroxypyrrolidin-1-yl)-4-methylpentyl]-N-methylpropanamide.
What is the SMILES notation for 2,2-bis(4-fluorophenyl)-N-[2-(2-hydroxypyrrolidin-1-yl)-4-methylpentyl]-N-methylpropanamide?
The canonical SMILES for 2,2-bis(4-fluorophenyl)-N-[2-(2-hydroxypyrrolidin-1-yl)-4-methylpentyl]-N-methylpropanamide is CC(C)CC(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)-4-methylpentyl]-N-methylpropanamide?
The InChIKey is YNFWGHRSFLQQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34F2N2O2/c1-18(2)16-23(30-15-5-6-24(30)31)17-29(4)25(32)26(3,19-7-11-21(27)12-8-19)20-9-13-22(28)14-10-20/h7-14,18,23-24,31H,5-6,15-17H2,1-4H3.
What are the key properties of 2,2-bis(4-fluorophenyl)-N-[2-(2-hydroxypyrrolidin-1-yl)-4-methylpentyl]-N-methylpropanamide?
2,2-bis(4-fluorophenyl)-N-[2-(2-hydroxypyrrolidin-1-yl)-4-methylpentyl]-N-methylpropanamide has a molecular weight of 444.57 g/mol, XLogP of 4.56, 8 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)-4-methylpentyl]-N-methylpropanamide is sourced from PubChem (CID 19439997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).