(2R,3S)-2-methyl-N-[4-(trifluoromethoxy)phenyl]morpholine-3-carboxamide

C13H15F3N2O3 — CID 120917325

IUPAC(2R,3S)-2-methyl-N-[4-(trifluoromethoxy)phenyl]morpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H15F3N2O3/c1-8-11(17-6-7-20-8)12(19)18-9-2-4-10(5-3-9)21-13(14,15)16/h2-5,8,11,17H,6-7H2,1H3,(H,18,19)/t8-,11+/m1/s1
InChIKeyZFADKWRMCDEABK-KCJUWKMLSA-N
MW304.27 g/mol
LogP1.90
Rot. Bonds3

About (2R,3S)-2-methyl-N-[4-(trifluoromethoxy)phenyl]morpholine-3-carboxamide

(2R,3S)-2-methyl-N-[4-(trifluoromethoxy)phenyl]morpholine-3-carboxamide (PubChem CID 120917325) has the molecular formula C13H15F3N2O3 and a molecular weight of 304.27 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-[4-(trifluoromethoxy)phenyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-[4-(trifluoromethoxy)phenyl]morpholine-3-carboxamide
PubChem CID120917325
Molecular FormulaC13H15F3N2O3
Molecular Weight304.27 g/mol
Exact Mass304.10
IUPAC Name(2R,3S)-2-methyl-N-[4-(trifluoromethoxy)phenyl]morpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H15F3N2O3/c1-8-11(17-6-7-20-8)12(19)18-9-2-4-10(5-3-9)21-13(14,15)16/h2-5,8,11,17H,6-7H2,1H3,(H,18,19)/t8-,11+/m1/s1
InChIKeyZFADKWRMCDEABK-KCJUWKMLSA-N
XLogP1.90
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-2-methyl-N-[3-(trifluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride
CID 120921232
(2R,3S)-N-(4-iodophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120917297
(2R,3S)-2-methyl-N-[4-(4-methylsulfonylphenoxy)phenyl]morpholine-3-carboxamide
CID 120930531
(2R,3S)-N-(4-butan-2-yloxyphenyl)-2-methylmorpholine-3-carboxamide
CID 120926448
(2R,3S)-N-[4-bromo-3-(trifluoromethyl)phenyl]-2-methylmorpholine-3-carboxamide
CID 120918025
(2R,3S)-N-[4-(3-amino-3-oxopropoxy)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120925642
(2R,3S)-2-methyl-N-[4-(propan-2-ylcarbamoyl)phenyl]morpholine-3-carboxamide
CID 120926510
(2R,3S)-2-methyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]morpholine-3-carboxamide
CID 120921411
(2R,3S)-2-methyl-N-[3-(trifluoromethyl)phenyl]morpholine-3-carboxamide;hydrochloride
CID 120917101
(2R,3S)-N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-methylmorpholine-3-carboxamide
CID 120923924
(2R,3S)-2-methyl-N-[4-(3-methylsulfonylphenoxy)phenyl]morpholine-3-carboxamide
CID 120934345
(2R,3S)-N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120920522

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-[4-(trifluoromethoxy)phenyl]morpholine-3-carboxamide?
The IUPAC name of (2R,3S)-2-methyl-N-[4-(trifluoromethoxy)phenyl]morpholine-3-carboxamide (CID 120917325) is (2R,3S)-2-methyl-N-[4-(trifluoromethoxy)phenyl]morpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-methyl-N-[4-(trifluoromethoxy)phenyl]morpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-2-methyl-N-[4-(trifluoromethoxy)phenyl]morpholine-3-carboxamide is C[C@H]1OCCN[C@@H]1C(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of (2R,3S)-2-methyl-N-[4-(trifluoromethoxy)phenyl]morpholine-3-carboxamide?
The InChIKey is ZFADKWRMCDEABK-KCJUWKMLSA-N. The full InChI is InChI=1S/C13H15F3N2O3/c1-8-11(17-6-7-20-8)12(19)18-9-2-4-10(5-3-9)21-13(14,15)16/h2-5,8,11,17H,6-7H2,1H3,(H,18,19)/t8-,11+/m1/s1.
What are the key properties of (2R,3S)-2-methyl-N-[4-(trifluoromethoxy)phenyl]morpholine-3-carboxamide?
(2R,3S)-2-methyl-N-[4-(trifluoromethoxy)phenyl]morpholine-3-carboxamide has a molecular weight of 304.27 g/mol, XLogP of 1.90, 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-[4-(trifluoromethoxy)phenyl]morpholine-3-carboxamide is sourced from PubChem (CID 120917325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).