N-(2-morpholin-4-yl-2-oxoethyl)-4-[3-(trifluoromethyl)phenyl]benzamide

C20H19F3N2O3 — CID 134801965

IUPACN-(2-morpholin-4-yl-2-oxoethyl)-4-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(NCC(=O)N1CCOCC1)c1ccc(-c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H19F3N2O3/c21-20(22,23)17-3-1-2-16(12-17)14-4-6-15(7-5-14)19(27)24-13-18(26)25-8-10-28-11-9-25/h1-7,12H,8-11,13H2,(H,24,27)
InChIKeyUICFNITWMZNIIA-UHFFFAOYSA-N
MW392.38 g/mol
LogP2.96
Rot. Bonds4

About N-(2-morpholin-4-yl-2-oxoethyl)-4-[3-(trifluoromethyl)phenyl]benzamide

N-(2-morpholin-4-yl-2-oxoethyl)-4-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 134801965) has the molecular formula C20H19F3N2O3 and a molecular weight of 392.38 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-2-oxoethyl)-4-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-2-oxoethyl)-4-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID134801965
Molecular FormulaC20H19F3N2O3
Molecular Weight392.38 g/mol
Exact Mass392.13
IUPAC NameN-(2-morpholin-4-yl-2-oxoethyl)-4-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(NCC(=O)N1CCOCC1)c1ccc(-c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H19F3N2O3/c21-20(22,23)17-3-1-2-16(12-17)14-4-6-15(7-5-14)19(27)24-13-18(26)25-8-10-28-11-9-25/h1-7,12H,8-11,13H2,(H,24,27)
InChIKeyUICFNITWMZNIIA-UHFFFAOYSA-N
XLogP2.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-2-oxoethyl)-4-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-(2-morpholin-4-yl-2-oxoethyl)-4-[3-(trifluoromethyl)phenyl]benzamide (CID 134801965) is N-(2-morpholin-4-yl-2-oxoethyl)-4-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-(2-morpholin-4-yl-2-oxoethyl)-4-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-(2-morpholin-4-yl-2-oxoethyl)-4-[3-(trifluoromethyl)phenyl]benzamide is O=C(NCC(=O)N1CCOCC1)c1ccc(-c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-(2-morpholin-4-yl-2-oxoethyl)-4-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is UICFNITWMZNIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O3/c21-20(22,23)17-3-1-2-16(12-17)14-4-6-15(7-5-14)19(27)24-13-18(26)25-8-10-28-11-9-25/h1-7,12H,8-11,13H2,(H,24,27).
What are the key properties of N-(2-morpholin-4-yl-2-oxoethyl)-4-[3-(trifluoromethyl)phenyl]benzamide?
N-(2-morpholin-4-yl-2-oxoethyl)-4-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 392.38 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-2-oxoethyl)-4-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 134801965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).