2-(3-cyano-2-methylindol-1-yl)-N-(3-methoxyphenyl)acetamide

C19H17N3O2 — CID 951809

IUPAC2-(3-cyano-2-methylindol-1-yl)-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)Cn2c(C)c(C#N)c3ccccc32)c1
InChIInChI=1S/C19H17N3O2/c1-13-17(11-20)16-8-3-4-9-18(16)22(13)12-19(23)21-14-6-5-7-15(10-14)24-2/h3-10H,12H2,1-2H3,(H,21,23)
InChIKeyMEDFKFHQIXAAGU-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.47
Rot. Bonds4

About 2-(3-cyano-2-methylindol-1-yl)-N-(3-methoxyphenyl)acetamide

2-(3-cyano-2-methylindol-1-yl)-N-(3-methoxyphenyl)acetamide (PubChem CID 951809) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-(3-cyano-2-methylindol-1-yl)-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-cyano-2-methylindol-1-yl)-N-(3-methoxyphenyl)acetamide
PubChem CID951809
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name2-(3-cyano-2-methylindol-1-yl)-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)Cn2c(C)c(C#N)c3ccccc32)c1
InChIInChI=1S/C19H17N3O2/c1-13-17(11-20)16-8-3-4-9-18(16)22(13)12-19(23)21-14-6-5-7-15(10-14)24-2/h3-10H,12H2,1-2H3,(H,21,23)
InChIKeyMEDFKFHQIXAAGU-UHFFFAOYSA-N
XLogP3.47
TPSA67.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-2-methylindol-1-yl)-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-(3-cyano-2-methylindol-1-yl)-N-(3-methoxyphenyl)acetamide (CID 951809) is 2-(3-cyano-2-methylindol-1-yl)-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(3-cyano-2-methylindol-1-yl)-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-(3-cyano-2-methylindol-1-yl)-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)Cn2c(C)c(C#N)c3ccccc32)c1.
What is the InChIKey of 2-(3-cyano-2-methylindol-1-yl)-N-(3-methoxyphenyl)acetamide?
The InChIKey is MEDFKFHQIXAAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-13-17(11-20)16-8-3-4-9-18(16)22(13)12-19(23)21-14-6-5-7-15(10-14)24-2/h3-10H,12H2,1-2H3,(H,21,23).
What are the key properties of 2-(3-cyano-2-methylindol-1-yl)-N-(3-methoxyphenyl)acetamide?
2-(3-cyano-2-methylindol-1-yl)-N-(3-methoxyphenyl)acetamide has a molecular weight of 319.36 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-2-methylindol-1-yl)-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 951809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).