(2R,3S)-2-methyl-N-[3-(trifluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride

C13H16ClF3N2O3 — CID 120921232

IUPAC(2R,3S)-2-methyl-N-[3-(trifluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)Nc1cccc(OC(F)(F)F)c1.Cl
InChIInChI=1S/C13H15F3N2O3.ClH/c1-8-11(17-5-6-20-8)12(19)18-9-3-2-4-10(7-9)21-13(14,15)16;/h2-4,7-8,11,17H,5-6H2,1H3,(H,18,19);1H/t8-,11+;/m1./s1
InChIKeyCQBCJSMQZDOMHE-NINOIYOQSA-N
MW340.73 g/mol
LogP2.32
Rot. Bonds3

About (2R,3S)-2-methyl-N-[3-(trifluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride

(2R,3S)-2-methyl-N-[3-(trifluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride (PubChem CID 120921232) has the molecular formula C13H16ClF3N2O3 and a molecular weight of 340.73 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-[3-(trifluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-[3-(trifluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride
PubChem CID120921232
Molecular FormulaC13H16ClF3N2O3
Molecular Weight340.73 g/mol
Exact Mass340.08
IUPAC Name(2R,3S)-2-methyl-N-[3-(trifluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)Nc1cccc(OC(F)(F)F)c1.Cl
InChIInChI=1S/C13H15F3N2O3.ClH/c1-8-11(17-5-6-20-8)12(19)18-9-3-2-4-10(7-9)21-13(14,15)16;/h2-4,7-8,11,17H,5-6H2,1H3,(H,18,19);1H/t8-,11+;/m1./s1
InChIKeyCQBCJSMQZDOMHE-NINOIYOQSA-N
XLogP2.32
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.73
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-2-methyl-N-[4-(trifluoromethoxy)phenyl]morpholine-3-carboxamide
CID 120917325
(2R,3S)-2-methyl-N-[3-(trifluoromethyl)phenyl]morpholine-3-carboxamide;hydrochloride
CID 120917101
N-[3-(trifluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119703130
(2R,3S)-N-[3-[(3-fluorophenyl)methoxy]phenyl]-2-methylmorpholine-3-carboxamide
CID 120926492
(2R,3S)-N-[3-(1-methoxyethyl)phenyl]-2-methylmorpholine-3-carboxamide
CID 120930391
(2R,3S)-N-[3-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-methylmorpholine-3-carboxamide
CID 120922885
(2R,3S)-2-methyl-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]morpholine-3-carboxamide;hydrochloride
CID 120925437
(2R,3S)-N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-methylmorpholine-3-carboxamide
CID 120925527
(2R,3S)-2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]morpholine-3-carboxamide
CID 120922893
(2R,3S)-N-[4-(difluoromethoxy)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120917827
(2R,3S)-2-methyl-N-(3-nitrophenyl)morpholine-3-carboxamide
CID 120917022
(2R,3S)-N-[4-bromo-3-(trifluoromethyl)phenyl]-2-methylmorpholine-3-carboxamide
CID 120918025

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-[3-(trifluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-2-methyl-N-[3-(trifluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride (CID 120921232) is (2R,3S)-2-methyl-N-[3-(trifluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-2-methyl-N-[3-(trifluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-2-methyl-N-[3-(trifluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride is C[C@H]1OCCN[C@@H]1C(=O)Nc1cccc(OC(F)(F)F)c1.Cl.
What is the InChIKey of (2R,3S)-2-methyl-N-[3-(trifluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride?
The InChIKey is CQBCJSMQZDOMHE-NINOIYOQSA-N. The full InChI is InChI=1S/C13H15F3N2O3.ClH/c1-8-11(17-5-6-20-8)12(19)18-9-3-2-4-10(7-9)21-13(14,15)16;/h2-4,7-8,11,17H,5-6H2,1H3,(H,18,19);1H/t8-,11+;/m1./s1.
What are the key properties of (2R,3S)-2-methyl-N-[3-(trifluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride?
(2R,3S)-2-methyl-N-[3-(trifluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride has a molecular weight of 340.73 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-N-[3-(trifluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120921232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).