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

C27H28F2N2O2 — CID 19439860

IUPAC2,2-bis(4-fluorophenyl)-N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methylacetamide
SMILESCN(C(=O)C(c1ccc(F)cc1)c1ccc(F)cc1)C(CN1CCC(O)C1)c1ccccc1
InChIInChI=1S/C27H28F2N2O2/c1-30(25(19-5-3-2-4-6-19)18-31-16-15-24(32)17-31)27(33)26(20-7-11-22(28)12-8-20)21-9-13-23(29)14-10-21/h2-14,24-26,32H,15-18H2,1H3
InChIKeyNRBACELXLTZJDX-UHFFFAOYSA-N
MW450.53 g/mol
LogP4.36
Rot. Bonds7

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

2,2-bis(4-fluorophenyl)-N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methylacetamide (PubChem CID 19439860) has the molecular formula C27H28F2N2O2 and a molecular weight of 450.53 g/mol. Its IUPAC name is 2,2-bis(4-fluorophenyl)-N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methylacetamide.

Molecular Properties

Compound Name2,2-bis(4-fluorophenyl)-N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methylacetamide
PubChem CID19439860
Molecular FormulaC27H28F2N2O2
Molecular Weight450.53 g/mol
Exact Mass450.21
IUPAC Name2,2-bis(4-fluorophenyl)-N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methylacetamide
SMILESCN(C(=O)C(c1ccc(F)cc1)c1ccc(F)cc1)C(CN1CCC(O)C1)c1ccccc1
InChIInChI=1S/C27H28F2N2O2/c1-30(25(19-5-3-2-4-6-19)18-31-16-15-24(32)17-31)27(33)26(20-7-11-22(28)12-8-20)21-9-13-23(29)14-10-21/h2-14,24-26,32H,15-18H2,1H3
InChIKeyNRBACELXLTZJDX-UHFFFAOYSA-N
XLogP4.36
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.53
LogP ≤ 54.36
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-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methylacetamide?
The IUPAC name of 2,2-bis(4-fluorophenyl)-N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methylacetamide (CID 19439860) is 2,2-bis(4-fluorophenyl)-N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methylacetamide.
What is the SMILES notation for 2,2-bis(4-fluorophenyl)-N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methylacetamide?
The canonical SMILES for 2,2-bis(4-fluorophenyl)-N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methylacetamide is CN(C(=O)C(c1ccc(F)cc1)c1ccc(F)cc1)C(CN1CCC(O)C1)c1ccccc1.
What is the InChIKey of 2,2-bis(4-fluorophenyl)-N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methylacetamide?
The InChIKey is NRBACELXLTZJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F2N2O2/c1-30(25(19-5-3-2-4-6-19)18-31-16-15-24(32)17-31)27(33)26(20-7-11-22(28)12-8-20)21-9-13-23(29)14-10-21/h2-14,24-26,32H,15-18H2,1H3.
What are the key properties of 2,2-bis(4-fluorophenyl)-N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methylacetamide?
2,2-bis(4-fluorophenyl)-N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methylacetamide has a molecular weight of 450.53 g/mol, XLogP of 4.36, 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-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methylacetamide is sourced from PubChem (CID 19439860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).