2-[(2R)-1-(4-fluorobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

C24H17F4N3O3 — CID 34310983

IUPAC2-[(2R)-1-(4-fluorobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(C[C@@H]1C(=O)Nc2ccccc2N1C(=O)c1ccc(F)cc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H17F4N3O3/c25-16-10-8-14(9-11-16)23(34)31-19-7-2-1-6-18(19)30-22(33)20(31)13-21(32)29-17-5-3-4-15(12-17)24(26,27)28/h1-12,20H,13H2,(H,29,32)(H,30,33)/t20-/m1/s1
InChIKeyGCJMOQPZJFLTFY-HXUWFJFHSA-N
MW471.41 g/mol
LogP4.84
Rot. Bonds4

About 2-[(2R)-1-(4-fluorobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[(2R)-1-(4-fluorobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 34310983) has the molecular formula C24H17F4N3O3 and a molecular weight of 471.41 g/mol. Its IUPAC name is 2-[(2R)-1-(4-fluorobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(2R)-1-(4-fluorobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID34310983
Molecular FormulaC24H17F4N3O3
Molecular Weight471.41 g/mol
Exact Mass471.12
IUPAC Name2-[(2R)-1-(4-fluorobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(C[C@@H]1C(=O)Nc2ccccc2N1C(=O)c1ccc(F)cc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H17F4N3O3/c25-16-10-8-14(9-11-16)23(34)31-19-7-2-1-6-18(19)30-22(33)20(31)13-21(32)29-17-5-3-4-15(12-17)24(26,27)28/h1-12,20H,13H2,(H,29,32)(H,30,33)/t20-/m1/s1
InChIKeyGCJMOQPZJFLTFY-HXUWFJFHSA-N
XLogP4.84
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.41
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(2R)-1-(4-fluorobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide with MolForge

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Related Compounds

2-[(2S)-1-(4-fluorobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-phenylacetamide
CID 35043810
N-(4-fluorophenyl)-2-[(2S)-1-(4-methylbenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 1285370
2-[(2S)-1-(4-chlorobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-phenylacetamide
CID 35042843
N-(3,4-dichlorophenyl)-2-[(2S)-1-(4-methylbenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 34115383
2-[1-(4-chlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 21235070
2-[(2R)-1-benzoyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-chlorophenyl)acetamide
CID 34316362
2-[(2S)-1-benzoyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-methylphenyl)acetamide
CID 51551628
2-[(2R)-1-benzoyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-methylphenyl)acetamide
CID 51551629
N-(3,4-dimethylphenyl)-2-[(2R)-1-(4-methoxybenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 34311037
ethyl 4-[[2-[(2R)-1-(4-chlorobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetyl]amino]benzoate
CID 34316902
2-[(2S)-1-(3,4-dimethoxybenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(3,4-dimethylphenyl)acetamide
CID 34310201
N-(3-chlorophenyl)-2-[1-(2-methylbenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 44725119

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(4-fluorobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[(2R)-1-(4-fluorobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 34310983) is 2-[(2R)-1-(4-fluorobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(2R)-1-(4-fluorobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[(2R)-1-(4-fluorobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(C[C@@H]1C(=O)Nc2ccccc2N1C(=O)c1ccc(F)cc1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[(2R)-1-(4-fluorobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is GCJMOQPZJFLTFY-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H17F4N3O3/c25-16-10-8-14(9-11-16)23(34)31-19-7-2-1-6-18(19)30-22(33)20(31)13-21(32)29-17-5-3-4-15(12-17)24(26,27)28/h1-12,20H,13H2,(H,29,32)(H,30,33)/t20-/m1/s1.
What are the key properties of 2-[(2R)-1-(4-fluorobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[(2R)-1-(4-fluorobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 471.41 g/mol, XLogP of 4.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(4-fluorobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 34310983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).