(2R,5S)-2,5-dimethyl-N-[2-(trifluoromethyl)phenyl]morpholine-4-carboxamide

C14H17F3N2O2 — CID 97315919

IUPAC(2R,5S)-2,5-dimethyl-N-[2-(trifluoromethyl)phenyl]morpholine-4-carboxamide
SMILESC[C@@H]1CN(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](C)CO1
InChIInChI=1S/C14H17F3N2O2/c1-9-8-21-10(2)7-19(9)13(20)18-12-6-4-3-5-11(12)14(15,16)17/h3-6,9-10H,7-8H2,1-2H3,(H,18,20)/t9-,10+/m0/s1
InChIKeyQOMDPWTUDLHEQY-VHSXEESVSA-N
MW302.30 g/mol
LogP3.35
Rot. Bonds1

About (2R,5S)-2,5-dimethyl-N-[2-(trifluoromethyl)phenyl]morpholine-4-carboxamide

(2R,5S)-2,5-dimethyl-N-[2-(trifluoromethyl)phenyl]morpholine-4-carboxamide (PubChem CID 97315919) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is (2R,5S)-2,5-dimethyl-N-[2-(trifluoromethyl)phenyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2R,5S)-2,5-dimethyl-N-[2-(trifluoromethyl)phenyl]morpholine-4-carboxamide
PubChem CID97315919
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name(2R,5S)-2,5-dimethyl-N-[2-(trifluoromethyl)phenyl]morpholine-4-carboxamide
SMILESC[C@@H]1CN(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](C)CO1
InChIInChI=1S/C14H17F3N2O2/c1-9-8-21-10(2)7-19(9)13(20)18-12-6-4-3-5-11(12)14(15,16)17/h3-6,9-10H,7-8H2,1-2H3,(H,18,20)/t9-,10+/m0/s1
InChIKeyQOMDPWTUDLHEQY-VHSXEESVSA-N
XLogP3.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-4-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 103896300
(2S)-6-chloro-2-methyl-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 92668144
(2S)-2,6-dimethyl-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 92682495
3-amino-N-[2-(trifluoromethyl)phenyl]azetidine-1-carboxamide
CID 63767129
N-(4-hydroxy-3,3-dimethyl-2-phenylbutyl)-2,5-dimethylmorpholine-4-carboxamide
CID 110012777
(3R)-3-hydroxy-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 78931972
2-(5-methylthiophen-2-yl)-N-[2-(trifluoromethyl)phenyl]azepane-1-carboxamide
CID 22586911
(3R)-3-phenyl-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 51895142
3-methyl-4-(4-methylphenyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 17381843
(4R)-3-[[2-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61181721
(2R)-2-(3-methylphenyl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 94080902
(2R)-2-N-propan-2-yl-1-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 1443259

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2,5-dimethyl-N-[2-(trifluoromethyl)phenyl]morpholine-4-carboxamide?
The IUPAC name of (2R,5S)-2,5-dimethyl-N-[2-(trifluoromethyl)phenyl]morpholine-4-carboxamide (CID 97315919) is (2R,5S)-2,5-dimethyl-N-[2-(trifluoromethyl)phenyl]morpholine-4-carboxamide.
What is the SMILES notation for (2R,5S)-2,5-dimethyl-N-[2-(trifluoromethyl)phenyl]morpholine-4-carboxamide?
The canonical SMILES for (2R,5S)-2,5-dimethyl-N-[2-(trifluoromethyl)phenyl]morpholine-4-carboxamide is C[C@@H]1CN(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](C)CO1.
What is the InChIKey of (2R,5S)-2,5-dimethyl-N-[2-(trifluoromethyl)phenyl]morpholine-4-carboxamide?
The InChIKey is QOMDPWTUDLHEQY-VHSXEESVSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-9-8-21-10(2)7-19(9)13(20)18-12-6-4-3-5-11(12)14(15,16)17/h3-6,9-10H,7-8H2,1-2H3,(H,18,20)/t9-,10+/m0/s1.
What are the key properties of (2R,5S)-2,5-dimethyl-N-[2-(trifluoromethyl)phenyl]morpholine-4-carboxamide?
(2R,5S)-2,5-dimethyl-N-[2-(trifluoromethyl)phenyl]morpholine-4-carboxamide has a molecular weight of 302.30 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2,5-dimethyl-N-[2-(trifluoromethyl)phenyl]morpholine-4-carboxamide is sourced from PubChem (CID 97315919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).