2-(5-chloro-1H-indol-3-yl)-N-(4-methylphenyl)-2-oxoacetamide

C17H13ClN2O2 — CID 54771134

IUPAC2-(5-chloro-1H-indol-3-yl)-N-(4-methylphenyl)-2-oxoacetamide
SMILESCc1ccc(NC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)cc1
InChIInChI=1S/C17H13ClN2O2/c1-10-2-5-12(6-3-10)20-17(22)16(21)14-9-19-15-7-4-11(18)8-13(14)15/h2-9,19H,1H3,(H,20,22)
InChIKeyVCKBFEAJPXKTGX-UHFFFAOYSA-N
MW312.76 g/mol
LogP3.95
Rot. Bonds3

About 2-(5-chloro-1H-indol-3-yl)-N-(4-methylphenyl)-2-oxoacetamide

2-(5-chloro-1H-indol-3-yl)-N-(4-methylphenyl)-2-oxoacetamide (PubChem CID 54771134) has the molecular formula C17H13ClN2O2 and a molecular weight of 312.76 g/mol. Its IUPAC name is 2-(5-chloro-1H-indol-3-yl)-N-(4-methylphenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(5-chloro-1H-indol-3-yl)-N-(4-methylphenyl)-2-oxoacetamide
PubChem CID54771134
Molecular FormulaC17H13ClN2O2
Molecular Weight312.76 g/mol
Exact Mass312.07
IUPAC Name2-(5-chloro-1H-indol-3-yl)-N-(4-methylphenyl)-2-oxoacetamide
SMILESCc1ccc(NC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)cc1
InChIInChI=1S/C17H13ClN2O2/c1-10-2-5-12(6-3-10)20-17(22)16(21)14-9-19-15-7-4-11(18)8-13(14)15/h2-9,19H,1H3,(H,20,22)
InChIKeyVCKBFEAJPXKTGX-UHFFFAOYSA-N
XLogP3.95
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-(5-chloro-1H-indol-3-yl)-N-(4-methylphenyl)-2-oxoacetamide?
The IUPAC name of 2-(5-chloro-1H-indol-3-yl)-N-(4-methylphenyl)-2-oxoacetamide (CID 54771134) is 2-(5-chloro-1H-indol-3-yl)-N-(4-methylphenyl)-2-oxoacetamide.
What is the SMILES notation for 2-(5-chloro-1H-indol-3-yl)-N-(4-methylphenyl)-2-oxoacetamide?
The canonical SMILES for 2-(5-chloro-1H-indol-3-yl)-N-(4-methylphenyl)-2-oxoacetamide is Cc1ccc(NC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)cc1.
What is the InChIKey of 2-(5-chloro-1H-indol-3-yl)-N-(4-methylphenyl)-2-oxoacetamide?
The InChIKey is VCKBFEAJPXKTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2/c1-10-2-5-12(6-3-10)20-17(22)16(21)14-9-19-15-7-4-11(18)8-13(14)15/h2-9,19H,1H3,(H,20,22).
What are the key properties of 2-(5-chloro-1H-indol-3-yl)-N-(4-methylphenyl)-2-oxoacetamide?
2-(5-chloro-1H-indol-3-yl)-N-(4-methylphenyl)-2-oxoacetamide has a molecular weight of 312.76 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1H-indol-3-yl)-N-(4-methylphenyl)-2-oxoacetamide is sourced from PubChem (CID 54771134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).