2-[3-(2-morpholin-4-yl-2-oxoacetyl)indol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

C23H20F3N3O4 — CID 2973195

IUPAC2-[3-(2-morpholin-4-yl-2-oxoacetyl)indol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1cc(C(=O)C(=O)N2CCOCC2)c2ccccc21)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H20F3N3O4/c24-23(25,26)15-4-3-5-16(12-15)27-20(30)14-29-13-18(17-6-1-2-7-19(17)29)21(31)22(32)28-8-10-33-11-9-28/h1-7,12-13H,8-11,14H2,(H,27,30)
InChIKeyUKWMAFFSHBHETQ-UHFFFAOYSA-N
MW459.42 g/mol
LogP3.34
Rot. Bonds5

About 2-[3-(2-morpholin-4-yl-2-oxoacetyl)indol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[3-(2-morpholin-4-yl-2-oxoacetyl)indol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 2973195) has the molecular formula C23H20F3N3O4 and a molecular weight of 459.42 g/mol. Its IUPAC name is 2-[3-(2-morpholin-4-yl-2-oxoacetyl)indol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[3-(2-morpholin-4-yl-2-oxoacetyl)indol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID2973195
Molecular FormulaC23H20F3N3O4
Molecular Weight459.42 g/mol
Exact Mass459.14
IUPAC Name2-[3-(2-morpholin-4-yl-2-oxoacetyl)indol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1cc(C(=O)C(=O)N2CCOCC2)c2ccccc21)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H20F3N3O4/c24-23(25,26)15-4-3-5-16(12-15)27-20(30)14-29-13-18(17-6-1-2-7-19(17)29)21(31)22(32)28-8-10-33-11-9-28/h1-7,12-13H,8-11,14H2,(H,27,30)
InChIKeyUKWMAFFSHBHETQ-UHFFFAOYSA-N
XLogP3.34
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-morpholin-4-yl-2-oxoacetyl)indol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[3-(2-morpholin-4-yl-2-oxoacetyl)indol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 2973195) is 2-[3-(2-morpholin-4-yl-2-oxoacetyl)indol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[3-(2-morpholin-4-yl-2-oxoacetyl)indol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[3-(2-morpholin-4-yl-2-oxoacetyl)indol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(Cn1cc(C(=O)C(=O)N2CCOCC2)c2ccccc21)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-(2-morpholin-4-yl-2-oxoacetyl)indol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is UKWMAFFSHBHETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O4/c24-23(25,26)15-4-3-5-16(12-15)27-20(30)14-29-13-18(17-6-1-2-7-19(17)29)21(31)22(32)28-8-10-33-11-9-28/h1-7,12-13H,8-11,14H2,(H,27,30).
What are the key properties of 2-[3-(2-morpholin-4-yl-2-oxoacetyl)indol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[3-(2-morpholin-4-yl-2-oxoacetyl)indol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 459.42 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-morpholin-4-yl-2-oxoacetyl)indol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 2973195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).