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

C25H32F2N2O2 — CID 19439851

IUPAC2,2-bis(4-fluorophenyl)-N-[2-(2-hydroxypyrrolidin-1-yl)-4-methylpentyl]-N-methylacetamide
SMILESCC(C)CC(CN(C)C(=O)C(c1ccc(F)cc1)c1ccc(F)cc1)N1CCCC1O
InChIInChI=1S/C25H32F2N2O2/c1-17(2)15-22(29-14-4-5-23(29)30)16-28(3)25(31)24(18-6-10-20(26)11-7-18)19-8-12-21(27)13-9-19/h6-13,17,22-24,30H,4-5,14-16H2,1-3H3
InChIKeyMTMZEDSCJJEAJA-UHFFFAOYSA-N
MW430.54 g/mol
LogP4.38
Rot. Bonds8

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

2,2-bis(4-fluorophenyl)-N-[2-(2-hydroxypyrrolidin-1-yl)-4-methylpentyl]-N-methylacetamide (PubChem CID 19439851) 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)-4-methylpentyl]-N-methylacetamide.

Molecular Properties

Compound Name2,2-bis(4-fluorophenyl)-N-[2-(2-hydroxypyrrolidin-1-yl)-4-methylpentyl]-N-methylacetamide
PubChem CID19439851
Molecular FormulaC25H32F2N2O2
Molecular Weight430.54 g/mol
Exact Mass430.24
IUPAC Name2,2-bis(4-fluorophenyl)-N-[2-(2-hydroxypyrrolidin-1-yl)-4-methylpentyl]-N-methylacetamide
SMILESCC(C)CC(CN(C)C(=O)C(c1ccc(F)cc1)c1ccc(F)cc1)N1CCCC1O
InChIInChI=1S/C25H32F2N2O2/c1-17(2)15-22(29-14-4-5-23(29)30)16-28(3)25(31)24(18-6-10-20(26)11-7-18)19-8-12-21(27)13-9-19/h6-13,17,22-24,30H,4-5,14-16H2,1-3H3
InChIKeyMTMZEDSCJJEAJA-UHFFFAOYSA-N
XLogP4.38
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.54
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2-bis(4-fluorophenyl)-N-[2-(2-hydroxypyrrolidin-1-yl)-4-methylpentyl]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3S)-3-[4-(4-fluorophenyl)phenyl]-1-[(3S)-3-fluoropyrrolidin-1-yl]-4-hydroxy-1-oxobutan-2-aminium; 2,2,2-trifluoroacetate
CID 91895751
2-(2,6-Difluorophenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone
CID 119099081
N-(2-hydroxyethyl)-2,2-diphenyl-N-(propan-2-yl)acetamide
CID 659521
2-(3,4-Difluoro-phenyl)-N-methyl-N-(2-methyl-1-pyrrolidin-1-ylmethyl-propyl)-acetamide
CID 15130810
(3R,4S)-3-(2-(3,5-bis(trifluoromethyl)phenyl)-N,2-dimethylpropanamido)-4-(4-fluorophenyl)-N,N-bis(2-hydroxyethyl)pyrrolidine-1-carboxamide
CID 52946726
2-(2,3-Difluorophenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone
CID 119106335
1-[3-(Dimethylamino)-4-(hydroxymethyl)pyrrolidin-1-YL]-2-(2-fluorophenyl)ethan-1-one
CID 124050029
1-[4-Acetyl-2-((S)-3-hydroxy-pyrrolidin-1-ylmethyl)-piperazin-1-yl]-2-(3,5-difluoro-phenyl)-ethanone
CID 44458703
N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N,3-dimethyl-2-phenylbutanamide;hydrochloride
CID 45262656
2-cyclohexyl-N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methyl-2-phenylacetamide;hydrochloride
CID 45262665
2,2-bis(4-fluorophenyl)-N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methylacetamide;hydrochloride
CID 45262782
1-[(2R)-4-acetyl-2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]piperazin-1-yl]-2-(3,5-difluorophenyl)ethanone
CID 44310780

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(4-fluorophenyl)-N-[2-(2-hydroxypyrrolidin-1-yl)-4-methylpentyl]-N-methylacetamide?
The IUPAC name of 2,2-bis(4-fluorophenyl)-N-[2-(2-hydroxypyrrolidin-1-yl)-4-methylpentyl]-N-methylacetamide (CID 19439851) is 2,2-bis(4-fluorophenyl)-N-[2-(2-hydroxypyrrolidin-1-yl)-4-methylpentyl]-N-methylacetamide.
What is the SMILES notation for 2,2-bis(4-fluorophenyl)-N-[2-(2-hydroxypyrrolidin-1-yl)-4-methylpentyl]-N-methylacetamide?
The canonical SMILES for 2,2-bis(4-fluorophenyl)-N-[2-(2-hydroxypyrrolidin-1-yl)-4-methylpentyl]-N-methylacetamide is CC(C)CC(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)-4-methylpentyl]-N-methylacetamide?
The InChIKey is MTMZEDSCJJEAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F2N2O2/c1-17(2)15-22(29-14-4-5-23(29)30)16-28(3)25(31)24(18-6-10-20(26)11-7-18)19-8-12-21(27)13-9-19/h6-13,17,22-24,30H,4-5,14-16H2,1-3H3.
What are the key properties of 2,2-bis(4-fluorophenyl)-N-[2-(2-hydroxypyrrolidin-1-yl)-4-methylpentyl]-N-methylacetamide?
2,2-bis(4-fluorophenyl)-N-[2-(2-hydroxypyrrolidin-1-yl)-4-methylpentyl]-N-methylacetamide has a molecular weight of 430.54 g/mol, XLogP of 4.38, 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-methylacetamide is sourced from PubChem (CID 19439851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).