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

C21H25FN2O2 — CID 19746409

IUPAC2-(3-fluorophenyl)-N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methylacetamide
SMILESCN(C(=O)Cc1cccc(F)c1)C(CN1CCC(O)C1)c1ccccc1
InChIInChI=1S/C21H25FN2O2/c1-23(21(26)13-16-6-5-9-18(22)12-16)20(17-7-3-2-4-8-17)15-24-11-10-19(25)14-24/h2-9,12,19-20,25H,10-11,13-15H2,1H3
InChIKeyXPQTXMUMRXRVPP-UHFFFAOYSA-N
MW356.44 g/mol
LogP2.63
Rot. Bonds6

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

2-(3-fluorophenyl)-N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methylacetamide (PubChem CID 19746409) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methylacetamide
PubChem CID19746409
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC Name2-(3-fluorophenyl)-N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methylacetamide
SMILESCN(C(=O)Cc1cccc(F)c1)C(CN1CCC(O)C1)c1ccccc1
InChIInChI=1S/C21H25FN2O2/c1-23(21(26)13-16-6-5-9-18(22)12-16)20(17-7-3-2-4-8-17)15-24-11-10-19(25)14-24/h2-9,12,19-20,25H,10-11,13-15H2,1H3
InChIKeyXPQTXMUMRXRVPP-UHFFFAOYSA-N
XLogP2.63
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methylacetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methylacetamide (CID 19746409) is 2-(3-fluorophenyl)-N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methylacetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methylacetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methylacetamide is CN(C(=O)Cc1cccc(F)c1)C(CN1CCC(O)C1)c1ccccc1.
What is the InChIKey of 2-(3-fluorophenyl)-N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methylacetamide?
The InChIKey is XPQTXMUMRXRVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2/c1-23(21(26)13-16-6-5-9-18(22)12-16)20(17-7-3-2-4-8-17)15-24-11-10-19(25)14-24/h2-9,12,19-20,25H,10-11,13-15H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methylacetamide?
2-(3-fluorophenyl)-N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methylacetamide has a molecular weight of 356.44 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methylacetamide is sourced from PubChem (CID 19746409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).