4-indol-1-ylbenzamide

C15H12N2O — CID 10879114

IUPAC4-indol-1-ylbenzamide
SMILESNC(=O)c1ccc(-n2ccc3ccccc32)cc1
InChIInChI=1S/C15H12N2O/c16-15(18)12-5-7-13(8-6-12)17-10-9-11-3-1-2-4-14(11)17/h1-10H,(H2,16,18)
InChIKeyVKLIXHMLDBTPKV-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.73
Rot. Bonds2

About 4-indol-1-ylbenzamide

4-indol-1-ylbenzamide (PubChem CID 10879114) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-indol-1-ylbenzamide.

Molecular Properties

Compound Name4-indol-1-ylbenzamide
PubChem CID10879114
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name4-indol-1-ylbenzamide
SMILESNC(=O)c1ccc(-n2ccc3ccccc32)cc1
InChIInChI=1S/C15H12N2O/c16-15(18)12-5-7-13(8-6-12)17-10-9-11-3-1-2-4-14(11)17/h1-10H,(H2,16,18)
InChIKeyVKLIXHMLDBTPKV-UHFFFAOYSA-N
XLogP2.73
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-indol-1-ylbenzamide?
The IUPAC name of 4-indol-1-ylbenzamide (CID 10879114) is 4-indol-1-ylbenzamide.
What is the SMILES notation for 4-indol-1-ylbenzamide?
The canonical SMILES for 4-indol-1-ylbenzamide is NC(=O)c1ccc(-n2ccc3ccccc32)cc1.
What is the InChIKey of 4-indol-1-ylbenzamide?
The InChIKey is VKLIXHMLDBTPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c16-15(18)12-5-7-13(8-6-12)17-10-9-11-3-1-2-4-14(11)17/h1-10H,(H2,16,18).
What are the key properties of 4-indol-1-ylbenzamide?
4-indol-1-ylbenzamide has a molecular weight of 236.27 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-indol-1-ylbenzamide is sourced from PubChem (CID 10879114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).