2-[(2R)-2-[(2,6-dichlorophenoxy)methyl]morpholin-4-yl]acetamide

C13H16Cl2N2O3 — CID 99979731

IUPAC2-[(2R)-2-[(2,6-dichlorophenoxy)methyl]morpholin-4-yl]acetamide
SMILESNC(=O)CN1CCO[C@@H](COc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C13H16Cl2N2O3/c14-10-2-1-3-11(15)13(10)20-8-9-6-17(4-5-19-9)7-12(16)18/h1-3,9H,4-8H2,(H2,16,18)/t9-/m1/s1
InChIKeyJKQLELOFVBTQSK-SECBINFHSA-N
MW319.19 g/mol
LogP1.56
Rot. Bonds5

About 2-[(2R)-2-[(2,6-dichlorophenoxy)methyl]morpholin-4-yl]acetamide

2-[(2R)-2-[(2,6-dichlorophenoxy)methyl]morpholin-4-yl]acetamide (PubChem CID 99979731) has the molecular formula C13H16Cl2N2O3 and a molecular weight of 319.19 g/mol. Its IUPAC name is 2-[(2R)-2-[(2,6-dichlorophenoxy)methyl]morpholin-4-yl]acetamide.

Molecular Properties

Compound Name2-[(2R)-2-[(2,6-dichlorophenoxy)methyl]morpholin-4-yl]acetamide
PubChem CID99979731
Molecular FormulaC13H16Cl2N2O3
Molecular Weight319.19 g/mol
Exact Mass318.05
IUPAC Name2-[(2R)-2-[(2,6-dichlorophenoxy)methyl]morpholin-4-yl]acetamide
SMILESNC(=O)CN1CCO[C@@H](COc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C13H16Cl2N2O3/c14-10-2-1-3-11(15)13(10)20-8-9-6-17(4-5-19-9)7-12(16)18/h1-3,9H,4-8H2,(H2,16,18)/t9-/m1/s1
InChIKeyJKQLELOFVBTQSK-SECBINFHSA-N
XLogP1.56
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(2,6-dichlorophenoxy)methyl]morpholin-4-yl]ethanol
CID 102567713
2-[(2R)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]acetamide
CID 99979589
2-[(2R)-2-[(3-bromophenoxy)methyl]morpholin-4-yl]acetamide
CID 99979824
2-[(2S)-2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]acetamide
CID 99979640
3-amino-2-[(4-ethylmorpholin-2-yl)methoxy]benzamide
CID 107873410
1-(2-chlorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81204174
[3-chloro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanol
CID 112612743
[3-chloro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanamine
CID 112607579
methyl 2-[2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]acetate
CID 102567692
methyl 2-[(2R)-2-[(2-bromophenoxy)methyl]morpholin-4-yl]acetate
CID 99979761
2-[6-[(2-chlorophenyl)methyl]-1,4-oxazepan-4-yl]acetamide
CID 102604202
ethyl 2-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]acetate
CID 102567699

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-[(2,6-dichlorophenoxy)methyl]morpholin-4-yl]acetamide?
The IUPAC name of 2-[(2R)-2-[(2,6-dichlorophenoxy)methyl]morpholin-4-yl]acetamide (CID 99979731) is 2-[(2R)-2-[(2,6-dichlorophenoxy)methyl]morpholin-4-yl]acetamide.
What is the SMILES notation for 2-[(2R)-2-[(2,6-dichlorophenoxy)methyl]morpholin-4-yl]acetamide?
The canonical SMILES for 2-[(2R)-2-[(2,6-dichlorophenoxy)methyl]morpholin-4-yl]acetamide is NC(=O)CN1CCO[C@@H](COc2c(Cl)cccc2Cl)C1.
What is the InChIKey of 2-[(2R)-2-[(2,6-dichlorophenoxy)methyl]morpholin-4-yl]acetamide?
The InChIKey is JKQLELOFVBTQSK-SECBINFHSA-N. The full InChI is InChI=1S/C13H16Cl2N2O3/c14-10-2-1-3-11(15)13(10)20-8-9-6-17(4-5-19-9)7-12(16)18/h1-3,9H,4-8H2,(H2,16,18)/t9-/m1/s1.
What are the key properties of 2-[(2R)-2-[(2,6-dichlorophenoxy)methyl]morpholin-4-yl]acetamide?
2-[(2R)-2-[(2,6-dichlorophenoxy)methyl]morpholin-4-yl]acetamide has a molecular weight of 319.19 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-[(2,6-dichlorophenoxy)methyl]morpholin-4-yl]acetamide is sourced from PubChem (CID 99979731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).