(2S,6R)-N-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide

C15H20ClFN2O3 — CID 129400289

IUPAC(2S,6R)-N-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide
SMILESC[C@@H]1CN(C(=O)N[C@@H](C)c2c(F)cccc2Cl)C[C@@H](CO)O1
InChIInChI=1S/C15H20ClFN2O3/c1-9-6-19(7-11(8-20)22-9)15(21)18-10(2)14-12(16)4-3-5-13(14)17/h3-5,9-11,20H,6-8H2,1-2H3,(H,18,21)/t9-,10+,11+/m1/s1
InChIKeySWGZGNAYROXNRD-VWYCJHECSA-N
MW330.79 g/mol
LogP2.33
Rot. Bonds3

About (2S,6R)-N-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide

(2S,6R)-N-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide (PubChem CID 129400289) has the molecular formula C15H20ClFN2O3 and a molecular weight of 330.79 g/mol. Its IUPAC name is (2S,6R)-N-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2S,6R)-N-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide
PubChem CID129400289
Molecular FormulaC15H20ClFN2O3
Molecular Weight330.79 g/mol
Exact Mass330.11
IUPAC Name(2S,6R)-N-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide
SMILESC[C@@H]1CN(C(=O)N[C@@H](C)c2c(F)cccc2Cl)C[C@@H](CO)O1
InChIInChI=1S/C15H20ClFN2O3/c1-9-6-19(7-11(8-20)22-9)15(21)18-10(2)14-12(16)4-3-5-13(14)17/h3-5,9-11,20H,6-8H2,1-2H3,(H,18,21)/t9-,10+,11+/m1/s1
InChIKeySWGZGNAYROXNRD-VWYCJHECSA-N
XLogP2.33
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.79
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,6R)-N-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-N-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide?
The IUPAC name of (2S,6R)-N-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide (CID 129400289) is (2S,6R)-N-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide.
What is the SMILES notation for (2S,6R)-N-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide?
The canonical SMILES for (2S,6R)-N-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide is C[C@@H]1CN(C(=O)N[C@@H](C)c2c(F)cccc2Cl)C[C@@H](CO)O1.
What is the InChIKey of (2S,6R)-N-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide?
The InChIKey is SWGZGNAYROXNRD-VWYCJHECSA-N. The full InChI is InChI=1S/C15H20ClFN2O3/c1-9-6-19(7-11(8-20)22-9)15(21)18-10(2)14-12(16)4-3-5-13(14)17/h3-5,9-11,20H,6-8H2,1-2H3,(H,18,21)/t9-,10+,11+/m1/s1.
What are the key properties of (2S,6R)-N-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide?
(2S,6R)-N-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide has a molecular weight of 330.79 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-N-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide is sourced from PubChem (CID 129400289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).