4-bromo-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride

C13H18BrClN2O — CID 17065286

IUPAC4-bromo-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride
SMILESCl.O=C(NCCN1CCCC1)c1ccc(Br)cc1
InChIInChI=1S/C13H17BrN2O.ClH/c14-12-5-3-11(4-6-12)13(17)15-7-10-16-8-1-2-9-16;/h3-6H,1-2,7-10H2,(H,15,17);1H
InChIKeySVIVNIWWITXEIK-UHFFFAOYSA-N
MW333.66 g/mol
LogP2.70
Rot. Bonds4

About 4-bromo-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride

4-bromo-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride (PubChem CID 17065286) has the molecular formula C13H18BrClN2O and a molecular weight of 333.66 g/mol. Its IUPAC name is 4-bromo-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-bromo-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride
PubChem CID17065286
Molecular FormulaC13H18BrClN2O
Molecular Weight333.66 g/mol
Exact Mass332.03
IUPAC Name4-bromo-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride
SMILESCl.O=C(NCCN1CCCC1)c1ccc(Br)cc1
InChIInChI=1S/C13H17BrN2O.ClH/c14-12-5-3-11(4-6-12)13(17)15-7-10-16-8-1-2-9-16;/h3-6H,1-2,7-10H2,(H,15,17);1H
InChIKeySVIVNIWWITXEIK-UHFFFAOYSA-N
XLogP2.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.66
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride?
The IUPAC name of 4-bromo-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride (CID 17065286) is 4-bromo-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 4-bromo-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 4-bromo-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride is Cl.O=C(NCCN1CCCC1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride?
The InChIKey is SVIVNIWWITXEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O.ClH/c14-12-5-3-11(4-6-12)13(17)15-7-10-16-8-1-2-9-16;/h3-6H,1-2,7-10H2,(H,15,17);1H.
What are the key properties of 4-bromo-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride?
4-bromo-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride has a molecular weight of 333.66 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 17065286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).