N-[2-(2-phenylmorpholin-4-yl)ethyl]-2-(trifluoromethyl)benzamide

C20H21F3N2O2 — CID 16892428

IUPACN-[2-(2-phenylmorpholin-4-yl)ethyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCCN1CCOC(c2ccccc2)C1)c1ccccc1C(F)(F)F
InChIInChI=1S/C20H21F3N2O2/c21-20(22,23)17-9-5-4-8-16(17)19(26)24-10-11-25-12-13-27-18(14-25)15-6-2-1-3-7-15/h1-9,18H,10-14H2,(H,24,26)
InChIKeySTTOVDSZEULZBT-UHFFFAOYSA-N
MW378.39 g/mol
LogP3.51
Rot. Bonds5

About N-[2-(2-phenylmorpholin-4-yl)ethyl]-2-(trifluoromethyl)benzamide

N-[2-(2-phenylmorpholin-4-yl)ethyl]-2-(trifluoromethyl)benzamide (PubChem CID 16892428) has the molecular formula C20H21F3N2O2 and a molecular weight of 378.39 g/mol. Its IUPAC name is N-[2-(2-phenylmorpholin-4-yl)ethyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(2-phenylmorpholin-4-yl)ethyl]-2-(trifluoromethyl)benzamide
PubChem CID16892428
Molecular FormulaC20H21F3N2O2
Molecular Weight378.39 g/mol
Exact Mass378.16
IUPAC NameN-[2-(2-phenylmorpholin-4-yl)ethyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCCN1CCOC(c2ccccc2)C1)c1ccccc1C(F)(F)F
InChIInChI=1S/C20H21F3N2O2/c21-20(22,23)17-9-5-4-8-16(17)19(26)24-10-11-25-12-13-27-18(14-25)15-6-2-1-3-7-15/h1-9,18H,10-14H2,(H,24,26)
InChIKeySTTOVDSZEULZBT-UHFFFAOYSA-N
XLogP3.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-phenylmorpholin-4-yl)ethyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(2-phenylmorpholin-4-yl)ethyl]-2-(trifluoromethyl)benzamide (CID 16892428) is N-[2-(2-phenylmorpholin-4-yl)ethyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(2-phenylmorpholin-4-yl)ethyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(2-phenylmorpholin-4-yl)ethyl]-2-(trifluoromethyl)benzamide is O=C(NCCN1CCOC(c2ccccc2)C1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[2-(2-phenylmorpholin-4-yl)ethyl]-2-(trifluoromethyl)benzamide?
The InChIKey is STTOVDSZEULZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O2/c21-20(22,23)17-9-5-4-8-16(17)19(26)24-10-11-25-12-13-27-18(14-25)15-6-2-1-3-7-15/h1-9,18H,10-14H2,(H,24,26).
What are the key properties of N-[2-(2-phenylmorpholin-4-yl)ethyl]-2-(trifluoromethyl)benzamide?
N-[2-(2-phenylmorpholin-4-yl)ethyl]-2-(trifluoromethyl)benzamide has a molecular weight of 378.39 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-phenylmorpholin-4-yl)ethyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 16892428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).