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

C24H22BrCl2N3O3 — CID 124774330

IUPACN-(4-bromophenyl)-2-[(2R)-1-[(1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
SMILESCC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)N1c2ccccc2NC(=O)[C@H]1CC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C24H22BrCl2N3O3/c1-24(2)15(11-19(26)27)21(24)23(33)30-17-6-4-3-5-16(17)29-22(32)18(30)12-20(31)28-14-9-7-13(25)8-10-14/h3-11,15,18,21H,12H2,1-2H3,(H,28,31)(H,29,32)/t15-,18-,21-/m1/s1
InChIKeyZNVPRUOWGGXJOG-FQELHTAISA-N
MW551.27 g/mol
LogP5.72
Rot. Bonds5

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

N-(4-bromophenyl)-2-[(2R)-1-[(1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide (PubChem CID 124774330) has the molecular formula C24H22BrCl2N3O3 and a molecular weight of 551.27 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[(2R)-1-[(1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[(2R)-1-[(1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
PubChem CID124774330
Molecular FormulaC24H22BrCl2N3O3
Molecular Weight551.27 g/mol
Exact Mass549.02
IUPAC NameN-(4-bromophenyl)-2-[(2R)-1-[(1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
SMILESCC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)N1c2ccccc2NC(=O)[C@H]1CC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C24H22BrCl2N3O3/c1-24(2)15(11-19(26)27)21(24)23(33)30-17-6-4-3-5-16(17)29-22(32)18(30)12-20(31)28-14-9-7-13(25)8-10-14/h3-11,15,18,21H,12H2,1-2H3,(H,28,31)(H,29,32)/t15-,18-,21-/m1/s1
InChIKeyZNVPRUOWGGXJOG-FQELHTAISA-N
XLogP5.72
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.27
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-(4-chlorophenyl)-2-[(2S)-1-[(1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 34317159
N-(4-acetamidophenyl)-2-[(2R)-1-acetyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 1095970
N-(4-bromophenyl)-2-[(2R)-1-(2-methylbenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 34316442
N-(4-bromophenyl)-2-[(2R)-1-(2-methoxybenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 34316429
N-(4-bromophenyl)-2-[(2R)-1-(4-nitrobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 34307056
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
2-[(2S)-1-(2-chlorobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-chlorophenyl)acetamide
CID 34316346
2-[1-(2-chlorobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-chlorophenyl)acetamide
CID 45128995
cis-(1S,3R)-N-(4-bromophenyl)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 1368388
2-[(2S)-1-(4-chlorobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-phenylacetamide
CID 35042843

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[(2R)-1-[(1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide?
The IUPAC name of 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) is N-(4-bromophenyl)-2-[(2R)-1-[(1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[(2R)-1-[(1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[(2R)-1-[(1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide is CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)N1c2ccccc2NC(=O)[C@H]1CC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[(2R)-1-[(1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide?
The InChIKey is ZNVPRUOWGGXJOG-FQELHTAISA-N. The full InChI is InChI=1S/C24H22BrCl2N3O3/c1-24(2)15(11-19(26)27)21(24)23(33)30-17-6-4-3-5-16(17)29-22(32)18(30)12-20(31)28-14-9-7-13(25)8-10-14/h3-11,15,18,21H,12H2,1-2H3,(H,28,31)(H,29,32)/t15-,18-,21-/m1/s1.
What are the key properties of N-(4-bromophenyl)-2-[(2R)-1-[(1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide?
N-(4-bromophenyl)-2-[(2R)-1-[(1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide has a molecular weight of 551.27 g/mol, XLogP of 5.72, 5 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-[(1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide is sourced from PubChem (CID 124774330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).