4-cyano-N-[2-(2-methylindol-1-yl)ethyl]benzamide

C19H17N3O — CID 71144674

IUPAC4-cyano-N-[2-(2-methylindol-1-yl)ethyl]benzamide
SMILESCc1cc2ccccc2n1CCNC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C19H17N3O/c1-14-12-17-4-2-3-5-18(17)22(14)11-10-21-19(23)16-8-6-15(13-20)7-9-16/h2-9,12H,10-11H2,1H3,(H,21,23)
InChIKeyYZOUUORCJPFLRA-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.25
Rot. Bonds4

About 4-cyano-N-[2-(2-methylindol-1-yl)ethyl]benzamide

4-cyano-N-[2-(2-methylindol-1-yl)ethyl]benzamide (PubChem CID 71144674) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 4-cyano-N-[2-(2-methylindol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[2-(2-methylindol-1-yl)ethyl]benzamide
PubChem CID71144674
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name4-cyano-N-[2-(2-methylindol-1-yl)ethyl]benzamide
SMILESCc1cc2ccccc2n1CCNC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C19H17N3O/c1-14-12-17-4-2-3-5-18(17)22(14)11-10-21-19(23)16-8-6-15(13-20)7-9-16/h2-9,12H,10-11H2,1H3,(H,21,23)
InChIKeyYZOUUORCJPFLRA-UHFFFAOYSA-N
XLogP3.25
TPSA57.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[2-(2-methylindol-1-yl)ethyl]benzamide?
The IUPAC name of 4-cyano-N-[2-(2-methylindol-1-yl)ethyl]benzamide (CID 71144674) is 4-cyano-N-[2-(2-methylindol-1-yl)ethyl]benzamide.
What is the SMILES notation for 4-cyano-N-[2-(2-methylindol-1-yl)ethyl]benzamide?
The canonical SMILES for 4-cyano-N-[2-(2-methylindol-1-yl)ethyl]benzamide is Cc1cc2ccccc2n1CCNC(=O)c1ccc(C#N)cc1.
What is the InChIKey of 4-cyano-N-[2-(2-methylindol-1-yl)ethyl]benzamide?
The InChIKey is YZOUUORCJPFLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-14-12-17-4-2-3-5-18(17)22(14)11-10-21-19(23)16-8-6-15(13-20)7-9-16/h2-9,12H,10-11H2,1H3,(H,21,23).
What are the key properties of 4-cyano-N-[2-(2-methylindol-1-yl)ethyl]benzamide?
4-cyano-N-[2-(2-methylindol-1-yl)ethyl]benzamide has a molecular weight of 303.37 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[2-(2-methylindol-1-yl)ethyl]benzamide is sourced from PubChem (CID 71144674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).