3-bromo-N-[2-(diethylamino)ethyl]benzamide;hydrochloride

C13H20BrClN2O — CID 2941785

IUPAC3-bromo-N-[2-(diethylamino)ethyl]benzamide;hydrochloride
SMILESCCN(CC)CCNC(=O)c1cccc(Br)c1.Cl
InChIInChI=1S/C13H19BrN2O.ClH/c1-3-16(4-2)9-8-15-13(17)11-6-5-7-12(14)10-11;/h5-7,10H,3-4,8-9H2,1-2H3,(H,15,17);1H
InChIKeyLJLBPBFIKGMZLW-UHFFFAOYSA-N
MW335.67 g/mol
LogP2.94
Rot. Bonds6

About 3-bromo-N-[2-(diethylamino)ethyl]benzamide;hydrochloride

3-bromo-N-[2-(diethylamino)ethyl]benzamide;hydrochloride (PubChem CID 2941785) has the molecular formula C13H20BrClN2O and a molecular weight of 335.67 g/mol. Its IUPAC name is 3-bromo-N-[2-(diethylamino)ethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-bromo-N-[2-(diethylamino)ethyl]benzamide;hydrochloride
PubChem CID2941785
Molecular FormulaC13H20BrClN2O
Molecular Weight335.67 g/mol
Exact Mass334.04
IUPAC Name3-bromo-N-[2-(diethylamino)ethyl]benzamide;hydrochloride
SMILESCCN(CC)CCNC(=O)c1cccc(Br)c1.Cl
InChIInChI=1S/C13H19BrN2O.ClH/c1-3-16(4-2)9-8-15-13(17)11-6-5-7-12(14)10-11;/h5-7,10H,3-4,8-9H2,1-2H3,(H,15,17);1H
InChIKeyLJLBPBFIKGMZLW-UHFFFAOYSA-N
XLogP2.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.67
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 47267566
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N-[2-(diethylamino)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 43007092
3-(cyanomethyl)-N-[2-(diethylamino)ethyl]benzamide
CID 82179015
3-[(2-amino-2-methylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide
CID 119847657
1-N,3-N-bis[2-(dibutylamino)ethyl]benzene-1,3-dicarboxamide
CID 139956379
3-bromo-N-dodecylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(diethylamino)ethyl]benzamide;hydrochloride?
The IUPAC name of 3-bromo-N-[2-(diethylamino)ethyl]benzamide;hydrochloride (CID 2941785) is 3-bromo-N-[2-(diethylamino)ethyl]benzamide;hydrochloride.
What is the SMILES notation for 3-bromo-N-[2-(diethylamino)ethyl]benzamide;hydrochloride?
The canonical SMILES for 3-bromo-N-[2-(diethylamino)ethyl]benzamide;hydrochloride is CCN(CC)CCNC(=O)c1cccc(Br)c1.Cl.
What is the InChIKey of 3-bromo-N-[2-(diethylamino)ethyl]benzamide;hydrochloride?
The InChIKey is LJLBPBFIKGMZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O.ClH/c1-3-16(4-2)9-8-15-13(17)11-6-5-7-12(14)10-11;/h5-7,10H,3-4,8-9H2,1-2H3,(H,15,17);1H.
What are the key properties of 3-bromo-N-[2-(diethylamino)ethyl]benzamide;hydrochloride?
3-bromo-N-[2-(diethylamino)ethyl]benzamide;hydrochloride has a molecular weight of 335.67 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(diethylamino)ethyl]benzamide;hydrochloride is sourced from PubChem (CID 2941785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).