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

C24H30F2N2O2 — CID 57141649

IUPAC2,2-bis(4-fluorophenyl)-N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylbutyl]-N-methylacetamide
SMILESCC(C)C(CN(C)C(=O)C(c1ccc(F)cc1)c1ccc(F)cc1)N1CC[C@H](O)C1
InChIInChI=1S/C24H30F2N2O2/c1-16(2)22(28-13-12-21(29)14-28)15-27(3)24(30)23(17-4-8-19(25)9-5-17)18-6-10-20(26)11-7-18/h4-11,16,21-23,29H,12-15H2,1-3H3/t21-,22?/m0/s1
InChIKeyZPJZEHZYTNLABV-HMTLIYDFSA-N
MW416.51 g/mol
LogP3.65
Rot. Bonds7

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

2,2-bis(4-fluorophenyl)-N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylbutyl]-N-methylacetamide (PubChem CID 57141649) 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-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylbutyl]-N-methylacetamide.

Molecular Properties

Compound Name2,2-bis(4-fluorophenyl)-N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylbutyl]-N-methylacetamide
PubChem CID57141649
Molecular FormulaC24H30F2N2O2
Molecular Weight416.51 g/mol
Exact Mass416.23
IUPAC Name2,2-bis(4-fluorophenyl)-N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylbutyl]-N-methylacetamide
SMILESCC(C)C(CN(C)C(=O)C(c1ccc(F)cc1)c1ccc(F)cc1)N1CC[C@H](O)C1
InChIInChI=1S/C24H30F2N2O2/c1-16(2)22(28-13-12-21(29)14-28)15-27(3)24(30)23(17-4-8-19(25)9-5-17)18-6-10-20(26)11-7-18/h4-11,16,21-23,29H,12-15H2,1-3H3/t21-,22?/m0/s1
InChIKeyZPJZEHZYTNLABV-HMTLIYDFSA-N
XLogP3.65
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 ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[1-(4-fluorophenyl)ethyl]pyrrolidin-3-ol
CID 126787911
N-[(1S)-1-(4-aminophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-2,2-bis(4-fluorophenyl)-N-methylacetamide
CID 67674368
N-[1-(4-fluorophenyl)ethyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide
CID 111332568
N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide
CID 111333757
N-[(3-fluorophenyl)methyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylpropanamide
CID 111332559
N,N-diethyl-2-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propanamide
CID 111109173
1-[2-amino-1-(4-fluorophenyl)propyl]piperidin-3-ol
CID 55016863
(2R)-2-(dimethylamino)-2-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 97207855
1-[(1S)-1-phenylethyl]pyrrolidin-3-ol
CID 69382807
1-[(3R)-3-hydroxypyrrolidin-1-yl]-1-phenylpropan-2-one
CID 70896720
(3S)-1-[1-(3,4-dichlorophenyl)ethyl]pyrrolidin-3-ol
CID 111333775
2-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-N,N-dimethylacetamide
CID 111109219

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(4-fluorophenyl)-N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylbutyl]-N-methylacetamide?
The IUPAC name of 2,2-bis(4-fluorophenyl)-N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylbutyl]-N-methylacetamide (CID 57141649) is 2,2-bis(4-fluorophenyl)-N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylbutyl]-N-methylacetamide.
What is the SMILES notation for 2,2-bis(4-fluorophenyl)-N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylbutyl]-N-methylacetamide?
The canonical SMILES for 2,2-bis(4-fluorophenyl)-N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylbutyl]-N-methylacetamide is CC(C)C(CN(C)C(=O)C(c1ccc(F)cc1)c1ccc(F)cc1)N1CC[C@H](O)C1.
What is the InChIKey of 2,2-bis(4-fluorophenyl)-N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylbutyl]-N-methylacetamide?
The InChIKey is ZPJZEHZYTNLABV-HMTLIYDFSA-N. The full InChI is InChI=1S/C24H30F2N2O2/c1-16(2)22(28-13-12-21(29)14-28)15-27(3)24(30)23(17-4-8-19(25)9-5-17)18-6-10-20(26)11-7-18/h4-11,16,21-23,29H,12-15H2,1-3H3/t21-,22?/m0/s1.
What are the key properties of 2,2-bis(4-fluorophenyl)-N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylbutyl]-N-methylacetamide?
2,2-bis(4-fluorophenyl)-N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylbutyl]-N-methylacetamide has a molecular weight of 416.51 g/mol, XLogP of 3.65, 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-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylbutyl]-N-methylacetamide is sourced from PubChem (CID 57141649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).