N-(3,4-dichlorophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide

C14H19Cl2N2O2+ — CID 2653002

IUPACN-(3,4-dichlorophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide
SMILESC[C@H]1C[NH+](CC(=O)Nc2ccc(Cl)c(Cl)c2)C[C@H](C)O1
InChIInChI=1S/C14H18Cl2N2O2/c1-9-6-18(7-10(2)20-9)8-14(19)17-11-3-4-12(15)13(16)5-11/h3-5,9-10H,6-8H2,1-2H3,(H,17,19)/p+1/t9-,10-/m0/s1
InChIKeyLHRKERKZBFTRHR-UWVGGRQHSA-O
MW318.22 g/mol
LogP1.62
Rot. Bonds3

About N-(3,4-dichlorophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide

N-(3,4-dichlorophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide (PubChem CID 2653002) has the molecular formula C14H19Cl2N2O2+ and a molecular weight of 318.22 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide
PubChem CID2653002
Molecular FormulaC14H19Cl2N2O2+
Molecular Weight318.22 g/mol
Exact Mass317.08
IUPAC NameN-(3,4-dichlorophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide
SMILESC[C@H]1C[NH+](CC(=O)Nc2ccc(Cl)c(Cl)c2)C[C@H](C)O1
InChIInChI=1S/C14H18Cl2N2O2/c1-9-6-18(7-10(2)20-9)8-14(19)17-11-3-4-12(15)13(16)5-11/h3-5,9-10H,6-8H2,1-2H3,(H,17,19)/p+1/t9-,10-/m0/s1
InChIKeyLHRKERKZBFTRHR-UWVGGRQHSA-O
XLogP1.62
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.22
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide
CID 7810899
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide
CID 2238896
N-(3-cyanophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide
CID 8899697
2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7345527
N-(4-chloro-2-fluorophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide
CID 2474971
2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(4-phenoxyphenyl)acetamide
CID 8899985
2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(3-phenoxyphenyl)acetamide
CID 2608440
2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 2125724
N-(2-chloro-3-pyridinyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide
CID 8520047
2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 8686861
(2S,6S)-N-(3,4-dichlorophenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 726111
(3R)-1-[2-(3,4-dichloroanilino)-2-oxoethyl]piperidin-1-ium-3-carboxamide
CID 9305299

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide (CID 2653002) is N-(3,4-dichlorophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide is C[C@H]1C[NH+](CC(=O)Nc2ccc(Cl)c(Cl)c2)C[C@H](C)O1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide?
The InChIKey is LHRKERKZBFTRHR-UWVGGRQHSA-O. The full InChI is InChI=1S/C14H18Cl2N2O2/c1-9-6-18(7-10(2)20-9)8-14(19)17-11-3-4-12(15)13(16)5-11/h3-5,9-10H,6-8H2,1-2H3,(H,17,19)/p+1/t9-,10-/m0/s1.
What are the key properties of N-(3,4-dichlorophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide?
N-(3,4-dichlorophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide has a molecular weight of 318.22 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide is sourced from PubChem (CID 2653002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).