3-(morpholin-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide

C19H19F3N2O3 — CID 134814272

IUPAC3-(morpholin-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1cccc(CN2CCOCC2)c1
InChIInChI=1S/C19H19F3N2O3/c20-19(21,22)27-17-6-4-16(5-7-17)23-18(25)15-3-1-2-14(12-15)13-24-8-10-26-11-9-24/h1-7,12H,8-11,13H2,(H,23,25)
InChIKeyMYWULUKAXYAFSH-UHFFFAOYSA-N
MW380.37 g/mol
LogP3.67
Rot. Bonds5

About 3-(morpholin-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide

3-(morpholin-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide (PubChem CID 134814272) has the molecular formula C19H19F3N2O3 and a molecular weight of 380.37 g/mol. Its IUPAC name is 3-(morpholin-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name3-(morpholin-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide
PubChem CID134814272
Molecular FormulaC19H19F3N2O3
Molecular Weight380.37 g/mol
Exact Mass380.13
IUPAC Name3-(morpholin-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1cccc(CN2CCOCC2)c1
InChIInChI=1S/C19H19F3N2O3/c20-19(21,22)27-17-6-4-16(5-7-17)23-18(25)15-3-1-2-14(12-15)13-24-8-10-26-11-9-24/h1-7,12H,8-11,13H2,(H,23,25)
InChIKeyMYWULUKAXYAFSH-UHFFFAOYSA-N
XLogP3.67
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(morpholin-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 3-(morpholin-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide (CID 134814272) is 3-(morpholin-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 3-(morpholin-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 3-(morpholin-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide is O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccc(CN2CCOCC2)c1.
What is the InChIKey of 3-(morpholin-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is MYWULUKAXYAFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O3/c20-19(21,22)27-17-6-4-16(5-7-17)23-18(25)15-3-1-2-14(12-15)13-24-8-10-26-11-9-24/h1-7,12H,8-11,13H2,(H,23,25).
What are the key properties of 3-(morpholin-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide?
3-(morpholin-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 380.37 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(morpholin-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 134814272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).