2-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-N-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]propanamide

C24H24F6N2O3 — CID 73212593

IUPAC2-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-N-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]propanamide
SMILESCC(C)(C(=O)N[C@@H](C(=O)N1CCOCC1)c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C24H24F6N2O3/c1-22(2,16-12-17(23(25,26)27)14-18(13-16)24(28,29)30)21(34)31-19(15-6-4-3-5-7-15)20(33)32-8-10-35-11-9-32/h3-7,12-14,19H,8-11H2,1-2H3,(H,31,34)/t19-/m1/s1
InChIKeyJBHLDFWFKHUKBN-LJQANCHMSA-N
MW502.46 g/mol
LogP4.72
Rot. Bonds5

About 2-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-N-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]propanamide

2-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-N-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]propanamide (PubChem CID 73212593) has the molecular formula C24H24F6N2O3 and a molecular weight of 502.46 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-N-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]propanamide.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-N-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]propanamide
PubChem CID73212593
Molecular FormulaC24H24F6N2O3
Molecular Weight502.46 g/mol
Exact Mass502.17
IUPAC Name2-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-N-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]propanamide
SMILESCC(C)(C(=O)N[C@@H](C(=O)N1CCOCC1)c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C24H24F6N2O3/c1-22(2,16-12-17(23(25,26)27)14-18(13-16)24(28,29)30)21(34)31-19(15-6-4-3-5-7-15)20(33)32-8-10-35-11-9-32/h3-7,12-14,19H,8-11H2,1-2H3,(H,31,34)/t19-/m1/s1
InChIKeyJBHLDFWFKHUKBN-LJQANCHMSA-N
XLogP4.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.46
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-N-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]propanamide 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 2-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-N-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]propanamide?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-N-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]propanamide (CID 73212593) is 2-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-N-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]propanamide.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-N-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]propanamide?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-N-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]propanamide is CC(C)(C(=O)N[C@@H](C(=O)N1CCOCC1)c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-N-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]propanamide?
The InChIKey is JBHLDFWFKHUKBN-LJQANCHMSA-N. The full InChI is InChI=1S/C24H24F6N2O3/c1-22(2,16-12-17(23(25,26)27)14-18(13-16)24(28,29)30)21(34)31-19(15-6-4-3-5-7-15)20(33)32-8-10-35-11-9-32/h3-7,12-14,19H,8-11H2,1-2H3,(H,31,34)/t19-/m1/s1.
What are the key properties of 2-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-N-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]propanamide?
2-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-N-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]propanamide has a molecular weight of 502.46 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-N-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]propanamide is sourced from PubChem (CID 73212593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).