3-bromo-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride

C13H19BrClN3O2 — CID 120831532

IUPAC3-bromo-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride
SMILESCNC(C)CNC(=O)CNC(=O)c1cccc(Br)c1.Cl
InChIInChI=1S/C13H18BrN3O2.ClH/c1-9(15-2)7-16-12(18)8-17-13(19)10-4-3-5-11(14)6-10;/h3-6,9,15H,7-8H2,1-2H3,(H,16,18)(H,17,19);1H
InChIKeyYJPMVLNQRXCWRV-UHFFFAOYSA-N
MW364.67 g/mol
LogP1.32
Rot. Bonds6

About 3-bromo-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride

3-bromo-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride (PubChem CID 120831532) has the molecular formula C13H19BrClN3O2 and a molecular weight of 364.67 g/mol. Its IUPAC name is 3-bromo-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-bromo-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride
PubChem CID120831532
Molecular FormulaC13H19BrClN3O2
Molecular Weight364.67 g/mol
Exact Mass363.03
IUPAC Name3-bromo-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride
SMILESCNC(C)CNC(=O)CNC(=O)c1cccc(Br)c1.Cl
InChIInChI=1S/C13H18BrN3O2.ClH/c1-9(15-2)7-16-12(18)8-17-13(19)10-4-3-5-11(14)6-10;/h3-6,9,15H,7-8H2,1-2H3,(H,16,18)(H,17,19);1H
InChIKeyYJPMVLNQRXCWRV-UHFFFAOYSA-N
XLogP1.32
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.67
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[2-(2-ethylbutylamino)-2-oxoethyl]benzamide
CID 115613542
3-bromo-N-[2-(butan-2-ylamino)-2-oxoethyl]benzamide
CID 46521709
3-(diethylsulfamoyl)-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride
CID 120827304
3-bromo-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide
CID 51162907
3,4-dichloro-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride
CID 120828973
3-bromo-N-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]benzamide;hydrochloride
CID 119505849
3-bromo-N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 41387812
3-bromo-N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]benzamide
CID 104981787
3-bromo-N-(2-methylbutyl)benzamide
CID 62693100
3-bromo-N-[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 24544523
N-[2-[2-(methylamino)propylamino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 120833138
3-bromo-N-[2-(2,6-diethylanilino)-2-oxoethyl]benzamide
CID 112997289

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride?
The IUPAC name of 3-bromo-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride (CID 120831532) is 3-bromo-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride.
What is the SMILES notation for 3-bromo-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride?
The canonical SMILES for 3-bromo-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride is CNC(C)CNC(=O)CNC(=O)c1cccc(Br)c1.Cl.
What is the InChIKey of 3-bromo-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride?
The InChIKey is YJPMVLNQRXCWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O2.ClH/c1-9(15-2)7-16-12(18)8-17-13(19)10-4-3-5-11(14)6-10;/h3-6,9,15H,7-8H2,1-2H3,(H,16,18)(H,17,19);1H.
What are the key properties of 3-bromo-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride?
3-bromo-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride has a molecular weight of 364.67 g/mol, XLogP of 1.32, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride is sourced from PubChem (CID 120831532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).