N-(4-chlorophenyl)-2-(1-methylpyrrol-2-yl)-2-oxoacetamide

C13H11ClN2O2 — CID 3842359

IUPACN-(4-chlorophenyl)-2-(1-methylpyrrol-2-yl)-2-oxoacetamide
SMILESCn1cccc1C(=O)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H11ClN2O2/c1-16-8-2-3-11(16)12(17)13(18)15-10-6-4-9(14)5-7-10/h2-8H,1H3,(H,15,18)
InChIKeyXXMXAARVVSNIPY-UHFFFAOYSA-N
MW262.70 g/mol
LogP2.50
Rot. Bonds3

About N-(4-chlorophenyl)-2-(1-methylpyrrol-2-yl)-2-oxoacetamide

N-(4-chlorophenyl)-2-(1-methylpyrrol-2-yl)-2-oxoacetamide (PubChem CID 3842359) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(1-methylpyrrol-2-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(1-methylpyrrol-2-yl)-2-oxoacetamide
PubChem CID3842359
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC NameN-(4-chlorophenyl)-2-(1-methylpyrrol-2-yl)-2-oxoacetamide
SMILESCn1cccc1C(=O)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H11ClN2O2/c1-16-8-2-3-11(16)12(17)13(18)15-10-6-4-9(14)5-7-10/h2-8H,1H3,(H,15,18)
InChIKeyXXMXAARVVSNIPY-UHFFFAOYSA-N
XLogP2.50
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(1-methylpyrrol-2-yl)-2-oxoacetamide?
The IUPAC name of N-(4-chlorophenyl)-2-(1-methylpyrrol-2-yl)-2-oxoacetamide (CID 3842359) is N-(4-chlorophenyl)-2-(1-methylpyrrol-2-yl)-2-oxoacetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(1-methylpyrrol-2-yl)-2-oxoacetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(1-methylpyrrol-2-yl)-2-oxoacetamide is Cn1cccc1C(=O)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(1-methylpyrrol-2-yl)-2-oxoacetamide?
The InChIKey is XXMXAARVVSNIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c1-16-8-2-3-11(16)12(17)13(18)15-10-6-4-9(14)5-7-10/h2-8H,1H3,(H,15,18).
What are the key properties of N-(4-chlorophenyl)-2-(1-methylpyrrol-2-yl)-2-oxoacetamide?
N-(4-chlorophenyl)-2-(1-methylpyrrol-2-yl)-2-oxoacetamide has a molecular weight of 262.70 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(1-methylpyrrol-2-yl)-2-oxoacetamide is sourced from PubChem (CID 3842359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).