4-N-[2-(2-methylindol-1-yl)ethyl]benzene-1,4-dicarboxamide

C19H19N3O2 — CID 90250211

IUPAC4-N-[2-(2-methylindol-1-yl)ethyl]benzene-1,4-dicarboxamide
SMILESCc1cc2ccccc2n1CCNC(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C19H19N3O2/c1-13-12-16-4-2-3-5-17(16)22(13)11-10-21-19(24)15-8-6-14(7-9-15)18(20)23/h2-9,12H,10-11H2,1H3,(H2,20,23)(H,21,24)
InChIKeyAZZFVBMAYUXLSE-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.48
Rot. Bonds5

About 4-N-[2-(2-methylindol-1-yl)ethyl]benzene-1,4-dicarboxamide

4-N-[2-(2-methylindol-1-yl)ethyl]benzene-1,4-dicarboxamide (PubChem CID 90250211) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-N-[2-(2-methylindol-1-yl)ethyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[2-(2-methylindol-1-yl)ethyl]benzene-1,4-dicarboxamide
PubChem CID90250211
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name4-N-[2-(2-methylindol-1-yl)ethyl]benzene-1,4-dicarboxamide
SMILESCc1cc2ccccc2n1CCNC(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C19H19N3O2/c1-13-12-16-4-2-3-5-17(16)22(13)11-10-21-19(24)15-8-6-14(7-9-15)18(20)23/h2-9,12H,10-11H2,1H3,(H2,20,23)(H,21,24)
InChIKeyAZZFVBMAYUXLSE-UHFFFAOYSA-N
XLogP2.48
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(2-methylindol-1-yl)ethyl]benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-[2-(2-methylindol-1-yl)ethyl]benzene-1,4-dicarboxamide (CID 90250211) is 4-N-[2-(2-methylindol-1-yl)ethyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[2-(2-methylindol-1-yl)ethyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-[2-(2-methylindol-1-yl)ethyl]benzene-1,4-dicarboxamide is Cc1cc2ccccc2n1CCNC(=O)c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-N-[2-(2-methylindol-1-yl)ethyl]benzene-1,4-dicarboxamide?
The InChIKey is AZZFVBMAYUXLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-13-12-16-4-2-3-5-17(16)22(13)11-10-21-19(24)15-8-6-14(7-9-15)18(20)23/h2-9,12H,10-11H2,1H3,(H2,20,23)(H,21,24).
What are the key properties of 4-N-[2-(2-methylindol-1-yl)ethyl]benzene-1,4-dicarboxamide?
4-N-[2-(2-methylindol-1-yl)ethyl]benzene-1,4-dicarboxamide has a molecular weight of 321.38 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(2-methylindol-1-yl)ethyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 90250211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).