N-[2-(2,4-dichlorophenyl)ethyl]-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetamide

C18H17Cl2N3O2 — CID 2468496

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetamide
SMILESO=C(CN1CC(=O)Nc2ccccc21)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H17Cl2N3O2/c19-13-6-5-12(14(20)9-13)7-8-21-17(24)10-23-11-18(25)22-15-3-1-2-4-16(15)23/h1-6,9H,7-8,10-11H2,(H,21,24)(H,22,25)
InChIKeyQYVDIGNUKNNMBR-UHFFFAOYSA-N
MW378.26 g/mol
LogP3.11
Rot. Bonds5

About N-[2-(2,4-dichlorophenyl)ethyl]-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetamide

N-[2-(2,4-dichlorophenyl)ethyl]-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetamide (PubChem CID 2468496) has the molecular formula C18H17Cl2N3O2 and a molecular weight of 378.26 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetamide
PubChem CID2468496
Molecular FormulaC18H17Cl2N3O2
Molecular Weight378.26 g/mol
Exact Mass377.07
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetamide
SMILESO=C(CN1CC(=O)Nc2ccccc21)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H17Cl2N3O2/c19-13-6-5-12(14(20)9-13)7-8-21-17(24)10-23-11-18(25)22-15-3-1-2-4-16(15)23/h1-6,9H,7-8,10-11H2,(H,21,24)(H,22,25)
InChIKeyQYVDIGNUKNNMBR-UHFFFAOYSA-N
XLogP3.11
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.26
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetamide (CID 2468496) is N-[2-(2,4-dichlorophenyl)ethyl]-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetamide is O=C(CN1CC(=O)Nc2ccccc21)NCCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetamide?
The InChIKey is QYVDIGNUKNNMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O2/c19-13-6-5-12(14(20)9-13)7-8-21-17(24)10-23-11-18(25)22-15-3-1-2-4-16(15)23/h1-6,9H,7-8,10-11H2,(H,21,24)(H,22,25).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetamide?
N-[2-(2,4-dichlorophenyl)ethyl]-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetamide has a molecular weight of 378.26 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetamide is sourced from PubChem (CID 2468496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).