N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(trifluoromethyl)benzamide

C21H23F3N2O2 — CID 16813198

IUPACN-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(C(CNC(=O)c2cccc(C(F)(F)F)c2)N2CCOCC2)cc1
InChIInChI=1S/C21H23F3N2O2/c1-15-5-7-16(8-6-15)19(26-9-11-28-12-10-26)14-25-20(27)17-3-2-4-18(13-17)21(22,23)24/h2-8,13,19H,9-12,14H2,1H3,(H,25,27)
InChIKeyJJUPYOCWEHDRJU-UHFFFAOYSA-N
MW392.42 g/mol
LogP3.82
Rot. Bonds5

About N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(trifluoromethyl)benzamide

N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(trifluoromethyl)benzamide (PubChem CID 16813198) has the molecular formula C21H23F3N2O2 and a molecular weight of 392.42 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(trifluoromethyl)benzamide
PubChem CID16813198
Molecular FormulaC21H23F3N2O2
Molecular Weight392.42 g/mol
Exact Mass392.17
IUPAC NameN-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(C(CNC(=O)c2cccc(C(F)(F)F)c2)N2CCOCC2)cc1
InChIInChI=1S/C21H23F3N2O2/c1-15-5-7-16(8-6-15)19(26-9-11-28-12-10-26)14-25-20(27)17-3-2-4-18(13-17)21(22,23)24/h2-8,13,19H,9-12,14H2,1H3,(H,25,27)
InChIKeyJJUPYOCWEHDRJU-UHFFFAOYSA-N
XLogP3.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(trifluoromethyl)benzamide (CID 16813198) is N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(trifluoromethyl)benzamide is Cc1ccc(C(CNC(=O)c2cccc(C(F)(F)F)c2)N2CCOCC2)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is JJUPYOCWEHDRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O2/c1-15-5-7-16(8-6-15)19(26-9-11-28-12-10-26)14-25-20(27)17-3-2-4-18(13-17)21(22,23)24/h2-8,13,19H,9-12,14H2,1H3,(H,25,27).
What are the key properties of N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(trifluoromethyl)benzamide?
N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 392.42 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 16813198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).