N-(4-bromophenyl)-2-[(2R)-1-(2-methylbenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide

C24H20BrN3O3 — CID 34316442

IUPACN-(4-bromophenyl)-2-[(2R)-1-(2-methylbenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
SMILESCc1ccccc1C(=O)N1c2ccccc2NC(=O)[C@H]1CC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C24H20BrN3O3/c1-15-6-2-3-7-18(15)24(31)28-20-9-5-4-8-19(20)27-23(30)21(28)14-22(29)26-17-12-10-16(25)11-13-17/h2-13,21H,14H2,1H3,(H,26,29)(H,27,30)/t21-/m1/s1
InChIKeyRKYGKTOOEXDRNM-OAQYLSRUSA-N
MW478.35 g/mol
LogP4.75
Rot. Bonds4

About N-(4-bromophenyl)-2-[(2R)-1-(2-methylbenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide

N-(4-bromophenyl)-2-[(2R)-1-(2-methylbenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide (PubChem CID 34316442) has the molecular formula C24H20BrN3O3 and a molecular weight of 478.35 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[(2R)-1-(2-methylbenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[(2R)-1-(2-methylbenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
PubChem CID34316442
Molecular FormulaC24H20BrN3O3
Molecular Weight478.35 g/mol
Exact Mass477.07
IUPAC NameN-(4-bromophenyl)-2-[(2R)-1-(2-methylbenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
SMILESCc1ccccc1C(=O)N1c2ccccc2NC(=O)[C@H]1CC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C24H20BrN3O3/c1-15-6-2-3-7-18(15)24(31)28-20-9-5-4-8-19(20)27-23(30)21(28)14-22(29)26-17-12-10-16(25)11-13-17/h2-13,21H,14H2,1H3,(H,26,29)(H,27,30)/t21-/m1/s1
InChIKeyRKYGKTOOEXDRNM-OAQYLSRUSA-N
XLogP4.75
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.35
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(4-bromophenyl)-2-[(2R)-1-(2-methylbenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide with MolForge

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Related Compounds

N-(4-bromophenyl)-2-[(2R)-1-(2-methoxybenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 34316429
N-(3-chlorophenyl)-2-[1-(2-methylbenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 44725119
2-[1-(2-chlorobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-chlorophenyl)acetamide
CID 45128995
2-[(2S)-1-(2-chlorobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-chlorophenyl)acetamide
CID 34316346
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-(4-bromophenyl)-2-[(2R)-1-(4-nitrobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 34307056
N-(4-acetamidophenyl)-2-[(2R)-1-acetyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 1095970
N-(4-fluorophenyl)-2-[(2S)-1-(4-methylbenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 1285370
2-[(2R)-1-(furan-2-carbonyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-methylphenyl)acetamide
CID 35042841
2-[(2R)-1-benzoyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-chlorophenyl)acetamide
CID 34316362
N-(4-bromophenyl)-2-[(2R)-1-[(1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 124774330

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[(2R)-1-(2-methylbenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[(2R)-1-(2-methylbenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide (CID 34316442) is N-(4-bromophenyl)-2-[(2R)-1-(2-methylbenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[(2R)-1-(2-methylbenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[(2R)-1-(2-methylbenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide is Cc1ccccc1C(=O)N1c2ccccc2NC(=O)[C@H]1CC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[(2R)-1-(2-methylbenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide?
The InChIKey is RKYGKTOOEXDRNM-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H20BrN3O3/c1-15-6-2-3-7-18(15)24(31)28-20-9-5-4-8-19(20)27-23(30)21(28)14-22(29)26-17-12-10-16(25)11-13-17/h2-13,21H,14H2,1H3,(H,26,29)(H,27,30)/t21-/m1/s1.
What are the key properties of N-(4-bromophenyl)-2-[(2R)-1-(2-methylbenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide?
N-(4-bromophenyl)-2-[(2R)-1-(2-methylbenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide has a molecular weight of 478.35 g/mol, XLogP of 4.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[(2R)-1-(2-methylbenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide is sourced from PubChem (CID 34316442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).