N-methyl-4-[[2-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxamide

C14H17F3N2O2 — CID 166602296

IUPACN-methyl-4-[[2-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxamide
SMILESCNC(=O)C1CN(Cc2ccccc2C(F)(F)F)CCO1
InChIInChI=1S/C14H17F3N2O2/c1-18-13(20)12-9-19(6-7-21-12)8-10-4-2-3-5-11(10)14(15,16)17/h2-5,12H,6-9H2,1H3,(H,18,20)
InChIKeyLINRKOBVRPNVJJ-UHFFFAOYSA-N
MW302.30 g/mol
LogP1.65
Rot. Bonds3

About N-methyl-4-[[2-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxamide

N-methyl-4-[[2-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxamide (PubChem CID 166602296) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is N-methyl-4-[[2-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[[2-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxamide
PubChem CID166602296
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC NameN-methyl-4-[[2-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxamide
SMILESCNC(=O)C1CN(Cc2ccccc2C(F)(F)F)CCO1
InChIInChI=1S/C14H17F3N2O2/c1-18-13(20)12-9-19(6-7-21-12)8-10-4-2-3-5-11(10)14(15,16)17/h2-5,12H,6-9H2,1H3,(H,18,20)
InChIKeyLINRKOBVRPNVJJ-UHFFFAOYSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[2-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxamide?
The IUPAC name of N-methyl-4-[[2-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxamide (CID 166602296) is N-methyl-4-[[2-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[[2-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxamide?
The canonical SMILES for N-methyl-4-[[2-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxamide is CNC(=O)C1CN(Cc2ccccc2C(F)(F)F)CCO1.
What is the InChIKey of N-methyl-4-[[2-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxamide?
The InChIKey is LINRKOBVRPNVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-18-13(20)12-9-19(6-7-21-12)8-10-4-2-3-5-11(10)14(15,16)17/h2-5,12H,6-9H2,1H3,(H,18,20).
What are the key properties of N-methyl-4-[[2-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxamide?
N-methyl-4-[[2-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxamide has a molecular weight of 302.30 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[2-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxamide is sourced from PubChem (CID 166602296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).