N-(4-cyanophenyl)-2-(1H-indol-3-yl)-2-oxoacetamide

C17H11N3O2 — CID 27161298

IUPACN-(4-cyanophenyl)-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESN#Cc1ccc(NC(=O)C(=O)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C17H11N3O2/c18-9-11-5-7-12(8-6-11)20-17(22)16(21)14-10-19-15-4-2-1-3-13(14)15/h1-8,10,19H,(H,20,22)
InChIKeyKBKNRGVVWLBZSQ-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.86
Rot. Bonds3

About N-(4-cyanophenyl)-2-(1H-indol-3-yl)-2-oxoacetamide

N-(4-cyanophenyl)-2-(1H-indol-3-yl)-2-oxoacetamide (PubChem CID 27161298) has the molecular formula C17H11N3O2 and a molecular weight of 289.29 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-(1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-(1H-indol-3-yl)-2-oxoacetamide
PubChem CID27161298
Molecular FormulaC17H11N3O2
Molecular Weight289.29 g/mol
Exact Mass289.09
IUPAC NameN-(4-cyanophenyl)-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESN#Cc1ccc(NC(=O)C(=O)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C17H11N3O2/c18-9-11-5-7-12(8-6-11)20-17(22)16(21)14-10-19-15-4-2-1-3-13(14)15/h1-8,10,19H,(H,20,22)
InChIKeyKBKNRGVVWLBZSQ-UHFFFAOYSA-N
XLogP2.86
TPSA85.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.86
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

2-(6-cyano-1H-indol-3-yl)-N-(4-methylphenyl)-2-oxoacetamide
CID 54771579
N-[(4-cyanophenyl)methyl]-1H-indole-3-carboxamide
CID 60919239
N'-(4-cyanophenyl)sulfonyl-1H-indole-3-carbohydrazide
CID 26980172
N-[2-(4-cyanoanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide
CID 113002030
N-(2-cyanopropan-2-yl)-2-(1H-indol-3-yl)-2-oxoacetamide
CID 4618284
2-(1H-indol-3-yl)-N-(6-methoxy-3-pyridinyl)-2-oxoacetamide
CID 44596787
N-(2-fluorophenyl)-2-(1H-indol-3-yl)-2-oxoacetamide
CID 2986288
2-(6-chloro-1H-indol-3-yl)-2-oxo-N-phenylacetamide
CID 54771139
(E)-2-cyano-N-[4-[[(E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoyl]amino]phenyl]-3-(1H-indol-3-yl)prop-2-enamide
CID 1181989
N-(5-acetamido-2-methoxyphenyl)-2-(1H-indol-3-yl)-2-oxoacetamide
CID 7117383
N-(4-phenylphenyl)-1H-indole-3-carboxamide
CID 17447542
N-(4-bromophenyl)-1H-indole-3-carboxamide
CID 43082523

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-(1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-(4-cyanophenyl)-2-(1H-indol-3-yl)-2-oxoacetamide (CID 27161298) is N-(4-cyanophenyl)-2-(1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-(1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-(1H-indol-3-yl)-2-oxoacetamide is N#Cc1ccc(NC(=O)C(=O)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-(1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is KBKNRGVVWLBZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O2/c18-9-11-5-7-12(8-6-11)20-17(22)16(21)14-10-19-15-4-2-1-3-13(14)15/h1-8,10,19H,(H,20,22).
What are the key properties of N-(4-cyanophenyl)-2-(1H-indol-3-yl)-2-oxoacetamide?
N-(4-cyanophenyl)-2-(1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 289.29 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-(1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 27161298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).