2-bromobenzamide;hydrochloride

C7H7BrClNO — CID 68911907

IUPAC2-bromobenzamide;hydrochloride
SMILESCl.NC(=O)c1ccccc1Br
InChIInChI=1S/C7H6BrNO.ClH/c8-6-4-2-1-3-5(6)7(9)10;/h1-4H,(H2,9,10);1H
InChIKeyDNNMXCFQMUBDIX-UHFFFAOYSA-N
MW236.50 g/mol
LogP1.97
Rot. Bonds1

About 2-bromobenzamide;hydrochloride

2-bromobenzamide;hydrochloride (PubChem CID 68911907) has the molecular formula C7H7BrClNO and a molecular weight of 236.50 g/mol. Its IUPAC name is 2-bromobenzamide;hydrochloride.

Molecular Properties

Compound Name2-bromobenzamide;hydrochloride
PubChem CID68911907
Molecular FormulaC7H7BrClNO
Molecular Weight236.50 g/mol
Exact Mass234.94
IUPAC Name2-bromobenzamide;hydrochloride
SMILESCl.NC(=O)c1ccccc1Br
InChIInChI=1S/C7H6BrNO.ClH/c8-6-4-2-1-3-5(6)7(9)10;/h1-4H,(H2,9,10);1H
InChIKeyDNNMXCFQMUBDIX-UHFFFAOYSA-N
XLogP1.97
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.50
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-bromobenzamide;hydrochloride?
The IUPAC name of 2-bromobenzamide;hydrochloride (CID 68911907) is 2-bromobenzamide;hydrochloride.
What is the SMILES notation for 2-bromobenzamide;hydrochloride?
The canonical SMILES for 2-bromobenzamide;hydrochloride is Cl.NC(=O)c1ccccc1Br.
What is the InChIKey of 2-bromobenzamide;hydrochloride?
The InChIKey is DNNMXCFQMUBDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrNO.ClH/c8-6-4-2-1-3-5(6)7(9)10;/h1-4H,(H2,9,10);1H.
What are the key properties of 2-bromobenzamide;hydrochloride?
2-bromobenzamide;hydrochloride has a molecular weight of 236.50 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromobenzamide;hydrochloride is sourced from PubChem (CID 68911907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).