(2S,6S)-N-(3,4-dichlorophenyl)-2,6-dimethylmorpholine-4-carboxamide

C13H16Cl2N2O2 — CID 726111

IUPAC(2S,6S)-N-(3,4-dichlorophenyl)-2,6-dimethylmorpholine-4-carboxamide
SMILESC[C@H]1CN(C(=O)Nc2ccc(Cl)c(Cl)c2)C[C@H](C)O1
InChIInChI=1S/C13H16Cl2N2O2/c1-8-6-17(7-9(2)19-8)13(18)16-10-3-4-11(14)12(15)5-10/h3-5,8-9H,6-7H2,1-2H3,(H,16,18)/t8-,9-/m0/s1
InChIKeyQHCGOCLCVWCKGA-IUCAKERBSA-N
MW303.19 g/mol
LogP3.63
Rot. Bonds1

About (2S,6S)-N-(3,4-dichlorophenyl)-2,6-dimethylmorpholine-4-carboxamide

(2S,6S)-N-(3,4-dichlorophenyl)-2,6-dimethylmorpholine-4-carboxamide (PubChem CID 726111) has the molecular formula C13H16Cl2N2O2 and a molecular weight of 303.19 g/mol. Its IUPAC name is (2S,6S)-N-(3,4-dichlorophenyl)-2,6-dimethylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2S,6S)-N-(3,4-dichlorophenyl)-2,6-dimethylmorpholine-4-carboxamide
PubChem CID726111
Molecular FormulaC13H16Cl2N2O2
Molecular Weight303.19 g/mol
Exact Mass302.06
IUPAC Name(2S,6S)-N-(3,4-dichlorophenyl)-2,6-dimethylmorpholine-4-carboxamide
SMILESC[C@H]1CN(C(=O)Nc2ccc(Cl)c(Cl)c2)C[C@H](C)O1
InChIInChI=1S/C13H16Cl2N2O2/c1-8-6-17(7-9(2)19-8)13(18)16-10-3-4-11(14)12(15)5-10/h3-5,8-9H,6-7H2,1-2H3,(H,16,18)/t8-,9-/m0/s1
InChIKeyQHCGOCLCVWCKGA-IUCAKERBSA-N
XLogP3.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dichlorophenyl)-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide
CID 102934811
2-chloro-4-[(2,6-dimethylmorpholine-4-carbonyl)amino]benzoic acid
CID 61398630
(2R,6S)-N-[4-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]phenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 51983955
(3S,5S)-N-(3,4-dichlorophenyl)-3,5-dimethylpiperidine-1-carboxamide
CID 840585
(2R,6R)-N-(3-chlorophenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 41097571
N-(3,4-dimethylphenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 4570981
4-amino-N-(3,4-dichlorophenyl)-3-methylpiperidine-1-carboxamide
CID 79867440
(2R,6R)-N-(4-bromo-3-methylphenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 51944457
(2S,6S)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 41097584
(2S,6R)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 42545481
5-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-hydroxybenzoic acid
CID 104959655
(2S,6S)-N-(3-acetylphenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 969916

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-N-(3,4-dichlorophenyl)-2,6-dimethylmorpholine-4-carboxamide?
The IUPAC name of (2S,6S)-N-(3,4-dichlorophenyl)-2,6-dimethylmorpholine-4-carboxamide (CID 726111) is (2S,6S)-N-(3,4-dichlorophenyl)-2,6-dimethylmorpholine-4-carboxamide.
What is the SMILES notation for (2S,6S)-N-(3,4-dichlorophenyl)-2,6-dimethylmorpholine-4-carboxamide?
The canonical SMILES for (2S,6S)-N-(3,4-dichlorophenyl)-2,6-dimethylmorpholine-4-carboxamide is C[C@H]1CN(C(=O)Nc2ccc(Cl)c(Cl)c2)C[C@H](C)O1.
What is the InChIKey of (2S,6S)-N-(3,4-dichlorophenyl)-2,6-dimethylmorpholine-4-carboxamide?
The InChIKey is QHCGOCLCVWCKGA-IUCAKERBSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2/c1-8-6-17(7-9(2)19-8)13(18)16-10-3-4-11(14)12(15)5-10/h3-5,8-9H,6-7H2,1-2H3,(H,16,18)/t8-,9-/m0/s1.
What are the key properties of (2S,6S)-N-(3,4-dichlorophenyl)-2,6-dimethylmorpholine-4-carboxamide?
(2S,6S)-N-(3,4-dichlorophenyl)-2,6-dimethylmorpholine-4-carboxamide has a molecular weight of 303.19 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-N-(3,4-dichlorophenyl)-2,6-dimethylmorpholine-4-carboxamide is sourced from PubChem (CID 726111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).