N-benzyl-2-(6-cyanoindol-1-yl)acetamide

C18H15N3O — CID 848453

IUPACN-benzyl-2-(6-cyanoindol-1-yl)acetamide
SMILESN#Cc1ccc2ccn(CC(=O)NCc3ccccc3)c2c1
InChIInChI=1S/C18H15N3O/c19-11-15-6-7-16-8-9-21(17(16)10-15)13-18(22)20-12-14-4-2-1-3-5-14/h1-10H,12-13H2,(H,20,22)
InChIKeyWUOFHEMNQXYJIG-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.83
Rot. Bonds4

About N-benzyl-2-(6-cyanoindol-1-yl)acetamide

N-benzyl-2-(6-cyanoindol-1-yl)acetamide (PubChem CID 848453) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is N-benzyl-2-(6-cyanoindol-1-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(6-cyanoindol-1-yl)acetamide
PubChem CID848453
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC NameN-benzyl-2-(6-cyanoindol-1-yl)acetamide
SMILESN#Cc1ccc2ccn(CC(=O)NCc3ccccc3)c2c1
InChIInChI=1S/C18H15N3O/c19-11-15-6-7-16-8-9-21(17(16)10-15)13-18(22)20-12-14-4-2-1-3-5-14/h1-10H,12-13H2,(H,20,22)
InChIKeyWUOFHEMNQXYJIG-UHFFFAOYSA-N
XLogP2.83
TPSA57.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(6-cyanoindol-1-yl)acetamide?
The IUPAC name of N-benzyl-2-(6-cyanoindol-1-yl)acetamide (CID 848453) is N-benzyl-2-(6-cyanoindol-1-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(6-cyanoindol-1-yl)acetamide?
The canonical SMILES for N-benzyl-2-(6-cyanoindol-1-yl)acetamide is N#Cc1ccc2ccn(CC(=O)NCc3ccccc3)c2c1.
What is the InChIKey of N-benzyl-2-(6-cyanoindol-1-yl)acetamide?
The InChIKey is WUOFHEMNQXYJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O/c19-11-15-6-7-16-8-9-21(17(16)10-15)13-18(22)20-12-14-4-2-1-3-5-14/h1-10H,12-13H2,(H,20,22).
What are the key properties of N-benzyl-2-(6-cyanoindol-1-yl)acetamide?
N-benzyl-2-(6-cyanoindol-1-yl)acetamide has a molecular weight of 289.34 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(6-cyanoindol-1-yl)acetamide is sourced from PubChem (CID 848453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).