4-tert-butyl-N-(1H-indol-4-yl)benzamide

C19H20N2O — CID 2817700

IUPAC4-tert-butyl-N-(1H-indol-4-yl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cccc3[nH]ccc23)cc1
InChIInChI=1S/C19H20N2O/c1-19(2,3)14-9-7-13(8-10-14)18(22)21-17-6-4-5-16-15(17)11-12-20-16/h4-12,20H,1-3H3,(H,21,22)
InChIKeyPDNBCTLMJPBYSO-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.72
Rot. Bonds2

About 4-tert-butyl-N-(1H-indol-4-yl)benzamide

4-tert-butyl-N-(1H-indol-4-yl)benzamide (PubChem CID 2817700) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-tert-butyl-N-(1H-indol-4-yl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(1H-indol-4-yl)benzamide
PubChem CID2817700
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name4-tert-butyl-N-(1H-indol-4-yl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cccc3[nH]ccc23)cc1
InChIInChI=1S/C19H20N2O/c1-19(2,3)14-9-7-13(8-10-14)18(22)21-17-6-4-5-16-15(17)11-12-20-16/h4-12,20H,1-3H3,(H,21,22)
InChIKeyPDNBCTLMJPBYSO-UHFFFAOYSA-N
XLogP4.72
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 4-tert-butyl-N-(1H-indol-4-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(1H-indol-4-yl)benzamide?
The IUPAC name of 4-tert-butyl-N-(1H-indol-4-yl)benzamide (CID 2817700) is 4-tert-butyl-N-(1H-indol-4-yl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(1H-indol-4-yl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(1H-indol-4-yl)benzamide is CC(C)(C)c1ccc(C(=O)Nc2cccc3[nH]ccc23)cc1.
What is the InChIKey of 4-tert-butyl-N-(1H-indol-4-yl)benzamide?
The InChIKey is PDNBCTLMJPBYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-19(2,3)14-9-7-13(8-10-14)18(22)21-17-6-4-5-16-15(17)11-12-20-16/h4-12,20H,1-3H3,(H,21,22).
What are the key properties of 4-tert-butyl-N-(1H-indol-4-yl)benzamide?
4-tert-butyl-N-(1H-indol-4-yl)benzamide has a molecular weight of 292.38 g/mol, XLogP of 4.72, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(1H-indol-4-yl)benzamide is sourced from PubChem (CID 2817700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).