3-indol-1-ylbenzamide;hydrochloride

C15H13ClN2O — CID 70409706

IUPAC3-indol-1-ylbenzamide;hydrochloride
SMILESCl.NC(=O)c1cccc(-n2ccc3ccccc32)c1
InChIInChI=1S/C15H12N2O.ClH/c16-15(18)12-5-3-6-13(10-12)17-9-8-11-4-1-2-7-14(11)17;/h1-10H,(H2,16,18);1H
InChIKeyYCPRHPUUHXSYIL-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.15
Rot. Bonds2

About 3-indol-1-ylbenzamide;hydrochloride

3-indol-1-ylbenzamide;hydrochloride (PubChem CID 70409706) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is 3-indol-1-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-indol-1-ylbenzamide;hydrochloride
PubChem CID70409706
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name3-indol-1-ylbenzamide;hydrochloride
SMILESCl.NC(=O)c1cccc(-n2ccc3ccccc32)c1
InChIInChI=1S/C15H12N2O.ClH/c16-15(18)12-5-3-6-13(10-12)17-9-8-11-4-1-2-7-14(11)17;/h1-10H,(H2,16,18);1H
InChIKeyYCPRHPUUHXSYIL-UHFFFAOYSA-N
XLogP3.15
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 33625
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AM-694
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Indoramin hydrochloride
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1H-indole-3-carboxamide
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2-(2-Methylphenyl)-1-(1-pentyl-1H-indol-3-yl)ethanone
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5-Fluoro CUMYL-PICA
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Frequently Asked Questions

What is the IUPAC name of 3-indol-1-ylbenzamide;hydrochloride?
The IUPAC name of 3-indol-1-ylbenzamide;hydrochloride (CID 70409706) is 3-indol-1-ylbenzamide;hydrochloride.
What is the SMILES notation for 3-indol-1-ylbenzamide;hydrochloride?
The canonical SMILES for 3-indol-1-ylbenzamide;hydrochloride is Cl.NC(=O)c1cccc(-n2ccc3ccccc32)c1.
What is the InChIKey of 3-indol-1-ylbenzamide;hydrochloride?
The InChIKey is YCPRHPUUHXSYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O.ClH/c16-15(18)12-5-3-6-13(10-12)17-9-8-11-4-1-2-7-14(11)17;/h1-10H,(H2,16,18);1H.
What are the key properties of 3-indol-1-ylbenzamide;hydrochloride?
3-indol-1-ylbenzamide;hydrochloride has a molecular weight of 272.74 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-indol-1-ylbenzamide;hydrochloride is sourced from PubChem (CID 70409706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).