2-(3-cyanoindol-1-yl)-N-(4-methoxyphenyl)acetamide

C18H15N3O2 — CID 951755

IUPAC2-(3-cyanoindol-1-yl)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2cc(C#N)c3ccccc32)cc1
InChIInChI=1S/C18H15N3O2/c1-23-15-8-6-14(7-9-15)20-18(22)12-21-11-13(10-19)16-4-2-3-5-17(16)21/h2-9,11H,12H2,1H3,(H,20,22)
InChIKeySAXCUYILLOCRRO-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.16
Rot. Bonds4

About 2-(3-cyanoindol-1-yl)-N-(4-methoxyphenyl)acetamide

2-(3-cyanoindol-1-yl)-N-(4-methoxyphenyl)acetamide (PubChem CID 951755) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-(3-cyanoindol-1-yl)-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-cyanoindol-1-yl)-N-(4-methoxyphenyl)acetamide
PubChem CID951755
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name2-(3-cyanoindol-1-yl)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2cc(C#N)c3ccccc32)cc1
InChIInChI=1S/C18H15N3O2/c1-23-15-8-6-14(7-9-15)20-18(22)12-21-11-13(10-19)16-4-2-3-5-17(16)21/h2-9,11H,12H2,1H3,(H,20,22)
InChIKeySAXCUYILLOCRRO-UHFFFAOYSA-N
XLogP3.16
TPSA67.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanoindol-1-yl)-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-(3-cyanoindol-1-yl)-N-(4-methoxyphenyl)acetamide (CID 951755) is 2-(3-cyanoindol-1-yl)-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(3-cyanoindol-1-yl)-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(3-cyanoindol-1-yl)-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)Cn2cc(C#N)c3ccccc32)cc1.
What is the InChIKey of 2-(3-cyanoindol-1-yl)-N-(4-methoxyphenyl)acetamide?
The InChIKey is SAXCUYILLOCRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-23-15-8-6-14(7-9-15)20-18(22)12-21-11-13(10-19)16-4-2-3-5-17(16)21/h2-9,11H,12H2,1H3,(H,20,22).
What are the key properties of 2-(3-cyanoindol-1-yl)-N-(4-methoxyphenyl)acetamide?
2-(3-cyanoindol-1-yl)-N-(4-methoxyphenyl)acetamide has a molecular weight of 305.34 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanoindol-1-yl)-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 951755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).