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

C24H22Cl3N3O3 — CID 34317159

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

N-(4-chlorophenyl)-2-[(2S)-1-[(1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide (PubChem CID 34317159) has the molecular formula C24H22Cl3N3O3 and a molecular weight of 506.82 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[(2S)-1-[(1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide.

Molecular Properties

• Compound Name: N-(4-chlorophenyl)-2-[(2S)-1-[(1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
• PubChem CID: 34317159
• Molecular Formula: C24H22Cl3N3O3
• Molecular Weight: 506.82 g/mol
• Exact Mass: 505.07
• IUPAC Name: N-(4-chlorophenyl)-2-[(2S)-1-[(1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
• SMILES: CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)N1c2ccccc2NC(=O)[C@@H]1CC(=O)Nc1ccc(Cl)cc1
• InChI: InChI=1S/C24H22Cl3N3O3/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+/m0/s1
• InChIKey: DVIDXLSMKMPMFO-UQASEVPWSA-N
• XLogP: 5.61
• TPSA: 78.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.82
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[(2S)-1-[(1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide?

The IUPAC name of 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) is N-(4-chlorophenyl)-2-[(2S)-1-[(1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide.

What is the SMILES notation for N-(4-chlorophenyl)-2-[(2S)-1-[(1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide?

The canonical SMILES for N-(4-chlorophenyl)-2-[(2S)-1-[(1S,3R)-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(Cl)cc1.

What is the InChIKey of N-(4-chlorophenyl)-2-[(2S)-1-[(1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide?

The InChIKey is DVIDXLSMKMPMFO-UQASEVPWSA-N. The full InChI is InChI=1S/C24H22Cl3N3O3/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+/m0/s1.

What are the key properties of N-(4-chlorophenyl)-2-[(2S)-1-[(1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide?

N-(4-chlorophenyl)-2-[(2S)-1-[(1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide has a molecular weight of 506.82 g/mol, XLogP of 5.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chlorophenyl)-2-[(2S)-1-[(1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide is sourced from PubChem (CID 34317159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).