(3S)-3-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyrrolidine-3-carboxamide

C14H18F2N2O2 — CID 125146122

IUPAC(3S)-3-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyrrolidine-3-carboxamide
SMILESCN(CCOc1ccccc1F)C(=O)[C@]1(F)CCNC1
InChIInChI=1S/C14H18F2N2O2/c1-18(13(19)14(16)6-7-17-10-14)8-9-20-12-5-3-2-4-11(12)15/h2-5,17H,6-10H2,1H3/t14-/m0/s1
InChIKeyDJLWVEUCSJJBMK-AWEZNQCLSA-N
MW284.31 g/mol
LogP1.36
Rot. Bonds5

About (3S)-3-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyrrolidine-3-carboxamide

(3S)-3-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyrrolidine-3-carboxamide (PubChem CID 125146122) has the molecular formula C14H18F2N2O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is (3S)-3-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-3-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyrrolidine-3-carboxamide
PubChem CID125146122
Molecular FormulaC14H18F2N2O2
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name(3S)-3-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyrrolidine-3-carboxamide
SMILESCN(CCOc1ccccc1F)C(=O)[C@]1(F)CCNC1
InChIInChI=1S/C14H18F2N2O2/c1-18(13(19)14(16)6-7-17-10-14)8-9-20-12-5-3-2-4-11(12)15/h2-5,17H,6-10H2,1H3/t14-/m0/s1
InChIKeyDJLWVEUCSJJBMK-AWEZNQCLSA-N
XLogP1.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-3-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyrrolidine-3-carboxamide (CID 125146122) is (3S)-3-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-3-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-3-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyrrolidine-3-carboxamide is CN(CCOc1ccccc1F)C(=O)[C@]1(F)CCNC1.
What is the InChIKey of (3S)-3-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyrrolidine-3-carboxamide?
The InChIKey is DJLWVEUCSJJBMK-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H18F2N2O2/c1-18(13(19)14(16)6-7-17-10-14)8-9-20-12-5-3-2-4-11(12)15/h2-5,17H,6-10H2,1H3/t14-/m0/s1.
What are the key properties of (3S)-3-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyrrolidine-3-carboxamide?
(3S)-3-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyrrolidine-3-carboxamide has a molecular weight of 284.31 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 125146122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).