N-(1-morpholin-4-yl-1-phenylpropan-2-yl)-3-(trifluoromethyl)benzamide

C21H23F3N2O2 — CID 4267002

IUPACN-(1-morpholin-4-yl-1-phenylpropan-2-yl)-3-(trifluoromethyl)benzamide
SMILESCC(NC(=O)c1cccc(C(F)(F)F)c1)C(c1ccccc1)N1CCOCC1
InChIInChI=1S/C21H23F3N2O2/c1-15(25-20(27)17-8-5-9-18(14-17)21(22,23)24)19(16-6-3-2-4-7-16)26-10-12-28-13-11-26/h2-9,14-15,19H,10-13H2,1H3,(H,25,27)
InChIKeyPYLMYDSYZKUBKV-UHFFFAOYSA-N
MW392.42 g/mol
LogP3.90
Rot. Bonds5

About N-(1-morpholin-4-yl-1-phenylpropan-2-yl)-3-(trifluoromethyl)benzamide

N-(1-morpholin-4-yl-1-phenylpropan-2-yl)-3-(trifluoromethyl)benzamide (PubChem CID 4267002) has the molecular formula C21H23F3N2O2 and a molecular weight of 392.42 g/mol. Its IUPAC name is N-(1-morpholin-4-yl-1-phenylpropan-2-yl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(1-morpholin-4-yl-1-phenylpropan-2-yl)-3-(trifluoromethyl)benzamide
PubChem CID4267002
Molecular FormulaC21H23F3N2O2
Molecular Weight392.42 g/mol
Exact Mass392.17
IUPAC NameN-(1-morpholin-4-yl-1-phenylpropan-2-yl)-3-(trifluoromethyl)benzamide
SMILESCC(NC(=O)c1cccc(C(F)(F)F)c1)C(c1ccccc1)N1CCOCC1
InChIInChI=1S/C21H23F3N2O2/c1-15(25-20(27)17-8-5-9-18(14-17)21(22,23)24)19(16-6-3-2-4-7-16)26-10-12-28-13-11-26/h2-9,14-15,19H,10-13H2,1H3,(H,25,27)
InChIKeyPYLMYDSYZKUBKV-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-morpholin-4-yl-1-phenylpropan-2-yl)-3-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-morpholin-4-yl-1-phenylpropan-2-yl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(1-morpholin-4-yl-1-phenylpropan-2-yl)-3-(trifluoromethyl)benzamide (CID 4267002) is N-(1-morpholin-4-yl-1-phenylpropan-2-yl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(1-morpholin-4-yl-1-phenylpropan-2-yl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(1-morpholin-4-yl-1-phenylpropan-2-yl)-3-(trifluoromethyl)benzamide is CC(NC(=O)c1cccc(C(F)(F)F)c1)C(c1ccccc1)N1CCOCC1.
What is the InChIKey of N-(1-morpholin-4-yl-1-phenylpropan-2-yl)-3-(trifluoromethyl)benzamide?
The InChIKey is PYLMYDSYZKUBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O2/c1-15(25-20(27)17-8-5-9-18(14-17)21(22,23)24)19(16-6-3-2-4-7-16)26-10-12-28-13-11-26/h2-9,14-15,19H,10-13H2,1H3,(H,25,27).
What are the key properties of N-(1-morpholin-4-yl-1-phenylpropan-2-yl)-3-(trifluoromethyl)benzamide?
N-(1-morpholin-4-yl-1-phenylpropan-2-yl)-3-(trifluoromethyl)benzamide has a molecular weight of 392.42 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-morpholin-4-yl-1-phenylpropan-2-yl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 4267002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).