N-(2,6-dichlorophenyl)-2-(2-methylindolizin-3-yl)-2-oxoacetamide

C17H12Cl2N2O2 — CID 18884715

IUPACN-(2,6-dichlorophenyl)-2-(2-methylindolizin-3-yl)-2-oxoacetamide
SMILESCc1cc2ccccn2c1C(=O)C(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C17H12Cl2N2O2/c1-10-9-11-5-2-3-8-21(11)15(10)16(22)17(23)20-14-12(18)6-4-7-13(14)19/h2-9H,1H3,(H,20,23)
InChIKeyYORDLNLOBGBMEK-UHFFFAOYSA-N
MW347.20 g/mol
LogP4.38
Rot. Bonds3

About N-(2,6-dichlorophenyl)-2-(2-methylindolizin-3-yl)-2-oxoacetamide

N-(2,6-dichlorophenyl)-2-(2-methylindolizin-3-yl)-2-oxoacetamide (PubChem CID 18884715) has the molecular formula C17H12Cl2N2O2 and a molecular weight of 347.20 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-(2-methylindolizin-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-(2-methylindolizin-3-yl)-2-oxoacetamide
PubChem CID18884715
Molecular FormulaC17H12Cl2N2O2
Molecular Weight347.20 g/mol
Exact Mass346.03
IUPAC NameN-(2,6-dichlorophenyl)-2-(2-methylindolizin-3-yl)-2-oxoacetamide
SMILESCc1cc2ccccn2c1C(=O)C(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C17H12Cl2N2O2/c1-10-9-11-5-2-3-8-21(11)15(10)16(22)17(23)20-14-12(18)6-4-7-13(14)19/h2-9H,1H3,(H,20,23)
InChIKeyYORDLNLOBGBMEK-UHFFFAOYSA-N
XLogP4.38
TPSA50.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(2,6-dichlorophenyl)-N-(2-propan-2-ylphenyl)oxamide
CID 108500627
N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(2,6-dichlorophenyl)oxamide
CID 108532298
2-[(2-chlorophenyl)methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 43405213
N-(2,6-dichlorophenyl)-2-[(2-methylphenyl)methylamino]acetamide
CID 60695302
N-(2,6-dichlorophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 580436
1-(2,6-dichlorophenyl)-3-(2-methylphenyl)urea
CID 44721842
N-[4-(1-hydroxyethyl)phenyl]-2-oxo-2-(2-phenylindolizin-3-yl)acetamide
CID 67106871
N-(2,6-dichlorophenyl)-3-(3-methylpyrazol-1-yl)propanamide
CID 19555733
4-(2,6-dichloroanilino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 77067975
3-(2,6-dichlorophenyl)-1,1-di(propan-2-yl)urea
CID 4674154
N,N'-bis(2,6-dichlorophenyl)butanediamide
CID 1010966
2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-(2,6-dichlorophenyl)-2-oxoacetamide
CID 108522597

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-(2-methylindolizin-3-yl)-2-oxoacetamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-(2-methylindolizin-3-yl)-2-oxoacetamide (CID 18884715) is N-(2,6-dichlorophenyl)-2-(2-methylindolizin-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-(2-methylindolizin-3-yl)-2-oxoacetamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-(2-methylindolizin-3-yl)-2-oxoacetamide is Cc1cc2ccccn2c1C(=O)C(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-(2-methylindolizin-3-yl)-2-oxoacetamide?
The InChIKey is YORDLNLOBGBMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O2/c1-10-9-11-5-2-3-8-21(11)15(10)16(22)17(23)20-14-12(18)6-4-7-13(14)19/h2-9H,1H3,(H,20,23).
What are the key properties of N-(2,6-dichlorophenyl)-2-(2-methylindolizin-3-yl)-2-oxoacetamide?
N-(2,6-dichlorophenyl)-2-(2-methylindolizin-3-yl)-2-oxoacetamide has a molecular weight of 347.20 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-(2-methylindolizin-3-yl)-2-oxoacetamide is sourced from PubChem (CID 18884715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).