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

C16H19F3N2O2 — CID 155981100

IUPACN-cyclopropyl-4-[[2-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxamide
SMILESO=C(NC1CC1)C1CN(Cc2ccccc2C(F)(F)F)CCO1
InChIInChI=1S/C16H19F3N2O2/c17-16(18,19)13-4-2-1-3-11(13)9-21-7-8-23-14(10-21)15(22)20-12-5-6-12/h1-4,12,14H,5-10H2,(H,20,22)
InChIKeyVRDCAAPIPZVESZ-UHFFFAOYSA-N
MW328.33 g/mol
LogP2.18
Rot. Bonds4

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

N-cyclopropyl-4-[[2-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxamide (PubChem CID 155981100) has the molecular formula C16H19F3N2O2 and a molecular weight of 328.33 g/mol. Its IUPAC name is N-cyclopropyl-4-[[2-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[2-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxamide
PubChem CID155981100
Molecular FormulaC16H19F3N2O2
Molecular Weight328.33 g/mol
Exact Mass328.14
IUPAC NameN-cyclopropyl-4-[[2-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxamide
SMILESO=C(NC1CC1)C1CN(Cc2ccccc2C(F)(F)F)CCO1
InChIInChI=1S/C16H19F3N2O2/c17-16(18,19)13-4-2-1-3-11(13)9-21-7-8-23-14(10-21)15(22)20-12-5-6-12/h1-4,12,14H,5-10H2,(H,20,22)
InChIKeyVRDCAAPIPZVESZ-UHFFFAOYSA-N
XLogP2.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-[[2-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxamide
CID 166602296
N-cyclopropyl-4-[(3,4-difluorophenyl)methyl]morpholine-2-carboxamide
CID 155981047
N-(oxan-4-yl)-2-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 165431842
(2S)-4-benzyl-N-[(3S)-oxan-3-yl]morpholine-2-carboxamide
CID 99846749
(2S)-4-methyl-N-[(2R)-1-[2-(trifluoromethyl)phenyl]propan-2-yl]morpholine-2-carboxamide
CID 97347258
N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 42542209
(2S)-N-cyclopentyl-4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholine-2-carboxamide
CID 92633348
N-phenyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 18089156
methyl 4-[(2-fluorophenyl)methyl]morpholine-2-carboxylate
CID 78926315
N-(1-benzylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]acetamide
CID 11793930
4-benzyl-N-[(1R,2R)-2-hydroxycyclohexyl]morpholine-2-carboxamide
CID 58504652
(E)-but-2-enedioic acid;1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 69068497

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[2-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxamide?
The IUPAC name of N-cyclopropyl-4-[[2-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxamide (CID 155981100) is N-cyclopropyl-4-[[2-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-[[2-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-4-[[2-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxamide is O=C(NC1CC1)C1CN(Cc2ccccc2C(F)(F)F)CCO1.
What is the InChIKey of N-cyclopropyl-4-[[2-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxamide?
The InChIKey is VRDCAAPIPZVESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O2/c17-16(18,19)13-4-2-1-3-11(13)9-21-7-8-23-14(10-21)15(22)20-12-5-6-12/h1-4,12,14H,5-10H2,(H,20,22).
What are the key properties of N-cyclopropyl-4-[[2-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxamide?
N-cyclopropyl-4-[[2-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxamide has a molecular weight of 328.33 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[2-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxamide is sourced from PubChem (CID 155981100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).