2-(3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

C17H20F3N3O2 — CID 2955378

IUPAC2-(3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CC1NC2CCCCC2NC1=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H20F3N3O2/c18-17(19,20)10-4-3-5-11(8-10)21-15(24)9-14-16(25)23-13-7-2-1-6-12(13)22-14/h3-5,8,12-14,22H,1-2,6-7,9H2,(H,21,24)(H,23,25)
InChIKeyPPZYWGRLAWHOLR-UHFFFAOYSA-N
MW355.36 g/mol
LogP2.43
Rot. Bonds3

About 2-(3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

2-(3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 2955378) has the molecular formula C17H20F3N3O2 and a molecular weight of 355.36 g/mol. Its IUPAC name is 2-(3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID2955378
Molecular FormulaC17H20F3N3O2
Molecular Weight355.36 g/mol
Exact Mass355.15
IUPAC Name2-(3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CC1NC2CCCCC2NC1=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H20F3N3O2/c18-17(19,20)10-4-3-5-11(8-10)21-15(24)9-14-16(25)23-13-7-2-1-6-12(13)22-14/h3-5,8,12-14,22H,1-2,6-7,9H2,(H,21,24)(H,23,25)
InChIKeyPPZYWGRLAWHOLR-UHFFFAOYSA-N
XLogP2.43
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide 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-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (CID 2955378) is 2-(3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(CC1NC2CCCCC2NC1=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is PPZYWGRLAWHOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O2/c18-17(19,20)10-4-3-5-11(8-10)21-15(24)9-14-16(25)23-13-7-2-1-6-12(13)22-14/h3-5,8,12-14,22H,1-2,6-7,9H2,(H,21,24)(H,23,25).
What are the key properties of 2-(3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 355.36 g/mol, XLogP of 2.43, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 2955378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).