2-(6-cyano-1H-indol-3-yl)-N-(4-methylphenyl)-2-oxoacetamide

C18H13N3O2 — CID 54771579

IUPAC2-(6-cyano-1H-indol-3-yl)-N-(4-methylphenyl)-2-oxoacetamide
SMILESCc1ccc(NC(=O)C(=O)c2c[nH]c3cc(C#N)ccc23)cc1
InChIInChI=1S/C18H13N3O2/c1-11-2-5-13(6-3-11)21-18(23)17(22)15-10-20-16-8-12(9-19)4-7-14(15)16/h2-8,10,20H,1H3,(H,21,23)
InChIKeyGGQWANKJGPPFKA-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.17
Rot. Bonds3

About 2-(6-cyano-1H-indol-3-yl)-N-(4-methylphenyl)-2-oxoacetamide

2-(6-cyano-1H-indol-3-yl)-N-(4-methylphenyl)-2-oxoacetamide (PubChem CID 54771579) has the molecular formula C18H13N3O2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-(6-cyano-1H-indol-3-yl)-N-(4-methylphenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(6-cyano-1H-indol-3-yl)-N-(4-methylphenyl)-2-oxoacetamide
PubChem CID54771579
Molecular FormulaC18H13N3O2
Molecular Weight303.32 g/mol
Exact Mass303.10
IUPAC Name2-(6-cyano-1H-indol-3-yl)-N-(4-methylphenyl)-2-oxoacetamide
SMILESCc1ccc(NC(=O)C(=O)c2c[nH]c3cc(C#N)ccc23)cc1
InChIInChI=1S/C18H13N3O2/c1-11-2-5-13(6-3-11)21-18(23)17(22)15-10-20-16-8-12(9-19)4-7-14(15)16/h2-8,10,20H,1H3,(H,21,23)
InChIKeyGGQWANKJGPPFKA-UHFFFAOYSA-N
XLogP3.17
TPSA85.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-cyanophenyl)-2-(1H-indol-3-yl)-2-oxoacetamide
CID 27161298
N-(3,5-dimethylphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208640
3-(3,4-dimethylbenzoyl)-1H-indole-6-carbonitrile
CID 107916644
3-[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]-1H-indole-6-carbonitrile
CID 44595692
N-(4-ethoxyphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208671
2-(6-chloro-1H-indol-3-yl)-2-oxo-N-phenylacetamide
CID 54771139
3-(2,3-dimethylbenzoyl)-1H-indole-6-carbonitrile
CID 107916755
3-(3-fluoro-5-methylbenzoyl)-1H-indole-6-carbonitrile
CID 107916705
3-(5-amino-2-methylbenzoyl)-1H-indole-6-carbonitrile
CID 107917680
3-(4-fluoro-2-methylbenzoyl)-1H-indole-6-carbonitrile
CID 107916673
3-(2-iodobenzoyl)-1H-indole-6-carbonitrile
CID 107916768
N-(2,5-dimethylphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208638

Frequently Asked Questions

What is the IUPAC name of 2-(6-cyano-1H-indol-3-yl)-N-(4-methylphenyl)-2-oxoacetamide?
The IUPAC name of 2-(6-cyano-1H-indol-3-yl)-N-(4-methylphenyl)-2-oxoacetamide (CID 54771579) is 2-(6-cyano-1H-indol-3-yl)-N-(4-methylphenyl)-2-oxoacetamide.
What is the SMILES notation for 2-(6-cyano-1H-indol-3-yl)-N-(4-methylphenyl)-2-oxoacetamide?
The canonical SMILES for 2-(6-cyano-1H-indol-3-yl)-N-(4-methylphenyl)-2-oxoacetamide is Cc1ccc(NC(=O)C(=O)c2c[nH]c3cc(C#N)ccc23)cc1.
What is the InChIKey of 2-(6-cyano-1H-indol-3-yl)-N-(4-methylphenyl)-2-oxoacetamide?
The InChIKey is GGQWANKJGPPFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2/c1-11-2-5-13(6-3-11)21-18(23)17(22)15-10-20-16-8-12(9-19)4-7-14(15)16/h2-8,10,20H,1H3,(H,21,23).
What are the key properties of 2-(6-cyano-1H-indol-3-yl)-N-(4-methylphenyl)-2-oxoacetamide?
2-(6-cyano-1H-indol-3-yl)-N-(4-methylphenyl)-2-oxoacetamide has a molecular weight of 303.32 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-cyano-1H-indol-3-yl)-N-(4-methylphenyl)-2-oxoacetamide is sourced from PubChem (CID 54771579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).