2-(2,3,3a,4-tetrahydroindol-1-yl)benzamide

C15H16N2O — CID 67271325

IUPAC2-(2,3,3a,4-tetrahydroindol-1-yl)benzamide
SMILESNC(=O)c1ccccc1N1CCC2CC=CC=C21
InChIInChI=1S/C15H16N2O/c16-15(18)12-6-2-4-8-14(12)17-10-9-11-5-1-3-7-13(11)17/h1-4,6-8,11H,5,9-10H2,(H2,16,18)
InChIKeyVZDXESPWUJAOJM-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.46
Rot. Bonds2

About 2-(2,3,3a,4-tetrahydroindol-1-yl)benzamide

2-(2,3,3a,4-tetrahydroindol-1-yl)benzamide (PubChem CID 67271325) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-(2,3,3a,4-tetrahydroindol-1-yl)benzamide.

Molecular Properties

Compound Name2-(2,3,3a,4-tetrahydroindol-1-yl)benzamide
PubChem CID67271325
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name2-(2,3,3a,4-tetrahydroindol-1-yl)benzamide
SMILESNC(=O)c1ccccc1N1CCC2CC=CC=C21
InChIInChI=1S/C15H16N2O/c16-15(18)12-6-2-4-8-14(12)17-10-9-11-5-1-3-7-13(11)17/h1-4,6-8,11H,5,9-10H2,(H2,16,18)
InChIKeyVZDXESPWUJAOJM-UHFFFAOYSA-N
XLogP2.46
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,3a,4-tetrahydroindol-1-yl)benzamide?
The IUPAC name of 2-(2,3,3a,4-tetrahydroindol-1-yl)benzamide (CID 67271325) is 2-(2,3,3a,4-tetrahydroindol-1-yl)benzamide.
What is the SMILES notation for 2-(2,3,3a,4-tetrahydroindol-1-yl)benzamide?
The canonical SMILES for 2-(2,3,3a,4-tetrahydroindol-1-yl)benzamide is NC(=O)c1ccccc1N1CCC2CC=CC=C21.
What is the InChIKey of 2-(2,3,3a,4-tetrahydroindol-1-yl)benzamide?
The InChIKey is VZDXESPWUJAOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c16-15(18)12-6-2-4-8-14(12)17-10-9-11-5-1-3-7-13(11)17/h1-4,6-8,11H,5,9-10H2,(H2,16,18).
What are the key properties of 2-(2,3,3a,4-tetrahydroindol-1-yl)benzamide?
2-(2,3,3a,4-tetrahydroindol-1-yl)benzamide has a molecular weight of 240.31 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,3a,4-tetrahydroindol-1-yl)benzamide is sourced from PubChem (CID 67271325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).