2-[(2R)-2-[(3-chlorophenoxy)methyl]-4-[(2,4-difluorophenyl)methyl]morpholin-2-yl]acetamide

C20H21ClF2N2O3 — CID 124947580

IUPAC2-[(2R)-2-[(3-chlorophenoxy)methyl]-4-[(2,4-difluorophenyl)methyl]morpholin-2-yl]acetamide
SMILESNC(=O)C[C@]1(COc2cccc(Cl)c2)CN(Cc2ccc(F)cc2F)CCO1
InChIInChI=1S/C20H21ClF2N2O3/c21-15-2-1-3-17(8-15)27-13-20(10-19(24)26)12-25(6-7-28-20)11-14-4-5-16(22)9-18(14)23/h1-5,8-9H,6-7,10-13H2,(H2,24,26)/t20-/m1/s1
InChIKeyCGPFXDLDMYLUDV-HXUWFJFHSA-N
MW410.85 g/mol
LogP3.14
Rot. Bonds7

About 2-[(2R)-2-[(3-chlorophenoxy)methyl]-4-[(2,4-difluorophenyl)methyl]morpholin-2-yl]acetamide

2-[(2R)-2-[(3-chlorophenoxy)methyl]-4-[(2,4-difluorophenyl)methyl]morpholin-2-yl]acetamide (PubChem CID 124947580) has the molecular formula C20H21ClF2N2O3 and a molecular weight of 410.85 g/mol. Its IUPAC name is 2-[(2R)-2-[(3-chlorophenoxy)methyl]-4-[(2,4-difluorophenyl)methyl]morpholin-2-yl]acetamide.

Molecular Properties

Compound Name2-[(2R)-2-[(3-chlorophenoxy)methyl]-4-[(2,4-difluorophenyl)methyl]morpholin-2-yl]acetamide
PubChem CID124947580
Molecular FormulaC20H21ClF2N2O3
Molecular Weight410.85 g/mol
Exact Mass410.12
IUPAC Name2-[(2R)-2-[(3-chlorophenoxy)methyl]-4-[(2,4-difluorophenyl)methyl]morpholin-2-yl]acetamide
SMILESNC(=O)C[C@]1(COc2cccc(Cl)c2)CN(Cc2ccc(F)cc2F)CCO1
InChIInChI=1S/C20H21ClF2N2O3/c21-15-2-1-3-17(8-15)27-13-20(10-19(24)26)12-25(6-7-28-20)11-14-4-5-16(22)9-18(14)23/h1-5,8-9H,6-7,10-13H2,(H2,24,26)/t20-/m1/s1
InChIKeyCGPFXDLDMYLUDV-HXUWFJFHSA-N
XLogP3.14
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.85
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2R)-2-[(3-chlorophenoxy)methyl]-4-[(2,4-difluorophenyl)methyl]morpholin-2-yl]acetamide with MolForge

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Related Compounds

2-[(2S)-2-[(3-chlorophenoxy)methyl]-4-[(2,4-difluorophenyl)methyl]morpholin-2-yl]acetamide
CID 124947579
2-[(2R)-4-benzyl-2-[(3-chlorophenoxy)methyl]morpholin-2-yl]acetamide
CID 124960032
2-[(2S)-2-[(3-chlorophenoxy)methyl]-4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]acetamide
CID 124962637
2-[2-[(3-chlorophenoxy)methyl]-4-[[1-(2-chlorophenyl)pyrrol-2-yl]methyl]morpholin-2-yl]acetamide
CID 110081896
2-[(2R)-2-[(3-chlorophenoxy)methyl]-4-[(5-methyl-3-pyridinyl)methyl]morpholin-2-yl]acetamide
CID 124992315
2-[2-[(3-chlorophenoxy)methyl]-4-(3-phenylpropyl)morpholin-2-yl]acetamide
CID 110081867
2-[(2S)-2-[(3-chlorophenoxy)methyl]-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]morpholin-2-yl]acetamide
CID 124995316
2-[2-[(3-chlorophenoxy)methyl]-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]morpholin-2-yl]acetamide
CID 110081882
2-[(2S)-4-[[2-(3-chlorophenoxy)phenyl]methyl]-2-[(4-fluorophenoxy)methyl]morpholin-2-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 124953234
2-[2-[(4-chlorophenoxy)methyl]-4-[(2,5-difluorophenyl)methyl]morpholin-2-yl]-1-morpholin-4-ylethanone
CID 132773624
2-[2-[(3-chlorophenoxy)methyl]-4-(2,4-difluorobenzoyl)morpholin-2-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 110081322
2-[2-[(4-chlorophenoxy)methyl]-4-[[2-(3-chlorophenoxy)phenyl]methyl]morpholin-2-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 110081817

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-[(3-chlorophenoxy)methyl]-4-[(2,4-difluorophenyl)methyl]morpholin-2-yl]acetamide?
The IUPAC name of 2-[(2R)-2-[(3-chlorophenoxy)methyl]-4-[(2,4-difluorophenyl)methyl]morpholin-2-yl]acetamide (CID 124947580) is 2-[(2R)-2-[(3-chlorophenoxy)methyl]-4-[(2,4-difluorophenyl)methyl]morpholin-2-yl]acetamide.
What is the SMILES notation for 2-[(2R)-2-[(3-chlorophenoxy)methyl]-4-[(2,4-difluorophenyl)methyl]morpholin-2-yl]acetamide?
The canonical SMILES for 2-[(2R)-2-[(3-chlorophenoxy)methyl]-4-[(2,4-difluorophenyl)methyl]morpholin-2-yl]acetamide is NC(=O)C[C@]1(COc2cccc(Cl)c2)CN(Cc2ccc(F)cc2F)CCO1.
What is the InChIKey of 2-[(2R)-2-[(3-chlorophenoxy)methyl]-4-[(2,4-difluorophenyl)methyl]morpholin-2-yl]acetamide?
The InChIKey is CGPFXDLDMYLUDV-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H21ClF2N2O3/c21-15-2-1-3-17(8-15)27-13-20(10-19(24)26)12-25(6-7-28-20)11-14-4-5-16(22)9-18(14)23/h1-5,8-9H,6-7,10-13H2,(H2,24,26)/t20-/m1/s1.
What are the key properties of 2-[(2R)-2-[(3-chlorophenoxy)methyl]-4-[(2,4-difluorophenyl)methyl]morpholin-2-yl]acetamide?
2-[(2R)-2-[(3-chlorophenoxy)methyl]-4-[(2,4-difluorophenyl)methyl]morpholin-2-yl]acetamide has a molecular weight of 410.85 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-[(3-chlorophenoxy)methyl]-4-[(2,4-difluorophenyl)methyl]morpholin-2-yl]acetamide is sourced from PubChem (CID 124947580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).