4-bromo-N-(1H-indol-6-yl)benzamide

C15H11BrN2O — CID 155533437

IUPAC4-bromo-N-(1H-indol-6-yl)benzamide
SMILESO=C(Nc1ccc2cc[nH]c2c1)c1ccc(Br)cc1
InChIInChI=1S/C15H11BrN2O/c16-12-4-1-11(2-5-12)15(19)18-13-6-3-10-7-8-17-14(10)9-13/h1-9,17H,(H,18,19)
InChIKeyWDBSKZFGALJHRY-UHFFFAOYSA-N
MW315.17 g/mol
LogP4.18
Rot. Bonds2

About 4-bromo-N-(1H-indol-6-yl)benzamide

4-bromo-N-(1H-indol-6-yl)benzamide (PubChem CID 155533437) has the molecular formula C15H11BrN2O and a molecular weight of 315.17 g/mol. Its IUPAC name is 4-bromo-N-(1H-indol-6-yl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(1H-indol-6-yl)benzamide
PubChem CID155533437
Molecular FormulaC15H11BrN2O
Molecular Weight315.17 g/mol
Exact Mass314.01
IUPAC Name4-bromo-N-(1H-indol-6-yl)benzamide
SMILESO=C(Nc1ccc2cc[nH]c2c1)c1ccc(Br)cc1
InChIInChI=1S/C15H11BrN2O/c16-12-4-1-11(2-5-12)15(19)18-13-6-3-10-7-8-17-14(10)9-13/h1-9,17H,(H,18,19)
InChIKeyWDBSKZFGALJHRY-UHFFFAOYSA-N
XLogP4.18
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1H-indol-6-yl)benzamide?
The IUPAC name of 4-bromo-N-(1H-indol-6-yl)benzamide (CID 155533437) is 4-bromo-N-(1H-indol-6-yl)benzamide.
What is the SMILES notation for 4-bromo-N-(1H-indol-6-yl)benzamide?
The canonical SMILES for 4-bromo-N-(1H-indol-6-yl)benzamide is O=C(Nc1ccc2cc[nH]c2c1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(1H-indol-6-yl)benzamide?
The InChIKey is WDBSKZFGALJHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O/c16-12-4-1-11(2-5-12)15(19)18-13-6-3-10-7-8-17-14(10)9-13/h1-9,17H,(H,18,19).
What are the key properties of 4-bromo-N-(1H-indol-6-yl)benzamide?
4-bromo-N-(1H-indol-6-yl)benzamide has a molecular weight of 315.17 g/mol, XLogP of 4.18, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1H-indol-6-yl)benzamide is sourced from PubChem (CID 155533437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).