(2R,3S)-N-[1-(2,3-dichlorophenyl)ethyl]-2-methylmorpholine-3-carboxamide

C14H18Cl2N2O2 — CID 120933721

IUPAC(2R,3S)-N-[1-(2,3-dichlorophenyl)ethyl]-2-methylmorpholine-3-carboxamide
SMILESCC(NC(=O)[C@H]1NCCO[C@@H]1C)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H18Cl2N2O2/c1-8(10-4-3-5-11(15)12(10)16)18-14(19)13-9(2)20-7-6-17-13/h3-5,8-9,13,17H,6-7H2,1-2H3,(H,18,19)/t8?,9-,13+/m1/s1
InChIKeyXDXKHYMMNLMAGC-OASAKOPFSA-N
MW317.22 g/mol
LogP2.55
Rot. Bonds3

About (2R,3S)-N-[1-(2,3-dichlorophenyl)ethyl]-2-methylmorpholine-3-carboxamide

(2R,3S)-N-[1-(2,3-dichlorophenyl)ethyl]-2-methylmorpholine-3-carboxamide (PubChem CID 120933721) has the molecular formula C14H18Cl2N2O2 and a molecular weight of 317.22 g/mol. Its IUPAC name is (2R,3S)-N-[1-(2,3-dichlorophenyl)ethyl]-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-[1-(2,3-dichlorophenyl)ethyl]-2-methylmorpholine-3-carboxamide
PubChem CID120933721
Molecular FormulaC14H18Cl2N2O2
Molecular Weight317.22 g/mol
Exact Mass316.07
IUPAC Name(2R,3S)-N-[1-(2,3-dichlorophenyl)ethyl]-2-methylmorpholine-3-carboxamide
SMILESCC(NC(=O)[C@H]1NCCO[C@@H]1C)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H18Cl2N2O2/c1-8(10-4-3-5-11(15)12(10)16)18-14(19)13-9(2)20-7-6-17-13/h3-5,8-9,13,17H,6-7H2,1-2H3,(H,18,19)/t8?,9-,13+/m1/s1
InChIKeyXDXKHYMMNLMAGC-OASAKOPFSA-N
XLogP2.55
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120934105
(2R,3S)-2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]morpholine-3-carboxamide
CID 120918965
(2R,3S)-N-[1-(2,4-difluorophenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120918983
(2R,3S)-N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-methylmorpholine-3-carboxamide
CID 120934682
(2R,3S)-N-[1-(4-bromophenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120928221
(2R,3S)-N-[1-(1-benzofuran-2-yl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120919673
(2R,3S)-N-[1-(1-benzothiophen-2-yl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120931572
(2R,3S)-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120935110
(2R,3S)-N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-methylmorpholine-3-carboxamide
CID 120924044
(2R,3S)-2-methyl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]morpholine-3-carboxamide
CID 120933166
N-[1-(2,3-dichlorophenyl)ethyl]triazolidine-4-carboxamide
CID 134068685
N-butan-2-yl-2-methylmorpholine-3-carboxamide
CID 130647463

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[1-(2,3-dichlorophenyl)ethyl]-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N-[1-(2,3-dichlorophenyl)ethyl]-2-methylmorpholine-3-carboxamide (CID 120933721) is (2R,3S)-N-[1-(2,3-dichlorophenyl)ethyl]-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-[1-(2,3-dichlorophenyl)ethyl]-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-[1-(2,3-dichlorophenyl)ethyl]-2-methylmorpholine-3-carboxamide is CC(NC(=O)[C@H]1NCCO[C@@H]1C)c1cccc(Cl)c1Cl.
What is the InChIKey of (2R,3S)-N-[1-(2,3-dichlorophenyl)ethyl]-2-methylmorpholine-3-carboxamide?
The InChIKey is XDXKHYMMNLMAGC-OASAKOPFSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2/c1-8(10-4-3-5-11(15)12(10)16)18-14(19)13-9(2)20-7-6-17-13/h3-5,8-9,13,17H,6-7H2,1-2H3,(H,18,19)/t8?,9-,13+/m1/s1.
What are the key properties of (2R,3S)-N-[1-(2,3-dichlorophenyl)ethyl]-2-methylmorpholine-3-carboxamide?
(2R,3S)-N-[1-(2,3-dichlorophenyl)ethyl]-2-methylmorpholine-3-carboxamide has a molecular weight of 317.22 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[1-(2,3-dichlorophenyl)ethyl]-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 120933721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).