N-methyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-2-pyrrolidin-1-yl-4-(trifluoromethyl)benzamide

C19H26F3N3O2 — CID 164640241

IUPACN-methyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-2-pyrrolidin-1-yl-4-(trifluoromethyl)benzamide
SMILESCN1CCO[C@@H](CN(C)C(=O)c2ccc(C(F)(F)F)cc2N2CCCC2)C1
InChIInChI=1S/C19H26F3N3O2/c1-23-9-10-27-15(12-23)13-24(2)18(26)16-6-5-14(19(20,21)22)11-17(16)25-7-3-4-8-25/h5-6,11,15H,3-4,7-10,12-13H2,1-2H3/t15-/m1/s1
InChIKeyUJVBLNOYHQUSHK-OAHLLOKOSA-N
MW385.43 g/mol
LogP2.71
Rot. Bonds4

About N-methyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-2-pyrrolidin-1-yl-4-(trifluoromethyl)benzamide

N-methyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-2-pyrrolidin-1-yl-4-(trifluoromethyl)benzamide (PubChem CID 164640241) has the molecular formula C19H26F3N3O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is N-methyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-2-pyrrolidin-1-yl-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-methyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-2-pyrrolidin-1-yl-4-(trifluoromethyl)benzamide
PubChem CID164640241
Molecular FormulaC19H26F3N3O2
Molecular Weight385.43 g/mol
Exact Mass385.20
IUPAC NameN-methyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-2-pyrrolidin-1-yl-4-(trifluoromethyl)benzamide
SMILESCN1CCO[C@@H](CN(C)C(=O)c2ccc(C(F)(F)F)cc2N2CCCC2)C1
InChIInChI=1S/C19H26F3N3O2/c1-23-9-10-27-15(12-23)13-24(2)18(26)16-6-5-14(19(20,21)22)11-17(16)25-7-3-4-8-25/h5-6,11,15H,3-4,7-10,12-13H2,1-2H3/t15-/m1/s1
InChIKeyUJVBLNOYHQUSHK-OAHLLOKOSA-N
XLogP2.71
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-2-pyrrolidin-1-yl-4-(trifluoromethyl)benzamide?
The IUPAC name of N-methyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-2-pyrrolidin-1-yl-4-(trifluoromethyl)benzamide (CID 164640241) is N-methyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-2-pyrrolidin-1-yl-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-methyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-2-pyrrolidin-1-yl-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-methyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-2-pyrrolidin-1-yl-4-(trifluoromethyl)benzamide is CN1CCO[C@@H](CN(C)C(=O)c2ccc(C(F)(F)F)cc2N2CCCC2)C1.
What is the InChIKey of N-methyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-2-pyrrolidin-1-yl-4-(trifluoromethyl)benzamide?
The InChIKey is UJVBLNOYHQUSHK-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H26F3N3O2/c1-23-9-10-27-15(12-23)13-24(2)18(26)16-6-5-14(19(20,21)22)11-17(16)25-7-3-4-8-25/h5-6,11,15H,3-4,7-10,12-13H2,1-2H3/t15-/m1/s1.
What are the key properties of N-methyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-2-pyrrolidin-1-yl-4-(trifluoromethyl)benzamide?
N-methyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-2-pyrrolidin-1-yl-4-(trifluoromethyl)benzamide has a molecular weight of 385.43 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-2-pyrrolidin-1-yl-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 164640241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).