3,4-dichloro-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride

C13H18Cl3N3O2 — CID 120828973

IUPAC3,4-dichloro-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride
SMILESCNC(C)CNC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C13H17Cl2N3O2.ClH/c1-8(16-2)6-17-12(19)7-18-13(20)9-3-4-10(14)11(15)5-9;/h3-5,8,16H,6-7H2,1-2H3,(H,17,19)(H,18,20);1H
InChIKeyHPVYKEOCLBXCON-UHFFFAOYSA-N
MW354.67 g/mol
LogP1.87
Rot. Bonds6

About 3,4-dichloro-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride

3,4-dichloro-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride (PubChem CID 120828973) has the molecular formula C13H18Cl3N3O2 and a molecular weight of 354.67 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3,4-dichloro-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride
PubChem CID120828973
Molecular FormulaC13H18Cl3N3O2
Molecular Weight354.67 g/mol
Exact Mass353.05
IUPAC Name3,4-dichloro-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride
SMILESCNC(C)CNC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C13H17Cl2N3O2.ClH/c1-8(16-2)6-17-12(19)7-18-13(20)9-3-4-10(14)11(15)5-9;/h3-5,8,16H,6-7H2,1-2H3,(H,17,19)(H,18,20);1H
InChIKeyHPVYKEOCLBXCON-UHFFFAOYSA-N
XLogP1.87
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.67
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-N-[2-[[(2R)-2-(ethylamino)propyl]amino]-2-oxoethyl]benzamide;hydrochloride
CID 120652500
3-chloro-4-methyl-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120828729
3,4-dichloro-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide
CID 27556673
3-chloro-4-iodo-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120829252
3-bromo-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride
CID 120831532
N-[2-[2-(methylamino)propylamino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 120833138
4-methoxy-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide
CID 120829043
N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-3,4-dichlorobenzamide
CID 9295430
3-(3,4-dichlorophenyl)-N-[2-(methylamino)propyl]propanamide
CID 120831265
N-[2-(3-aminopropylamino)-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride
CID 119405889
[(1R)-1-[[2-[(3,4-dichlorobenzoyl)amino]acetyl]amino]-3-methylbutyl]boronic acid
CID 25183873
N-(3-bromo-2-methylpropyl)-3,4-dichlorobenzamide
CID 114313406

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride?
The IUPAC name of 3,4-dichloro-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride (CID 120828973) is 3,4-dichloro-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride.
What is the SMILES notation for 3,4-dichloro-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride?
The canonical SMILES for 3,4-dichloro-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride is CNC(C)CNC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1.Cl.
What is the InChIKey of 3,4-dichloro-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride?
The InChIKey is HPVYKEOCLBXCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N3O2.ClH/c1-8(16-2)6-17-12(19)7-18-13(20)9-3-4-10(14)11(15)5-9;/h3-5,8,16H,6-7H2,1-2H3,(H,17,19)(H,18,20);1H.
What are the key properties of 3,4-dichloro-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride?
3,4-dichloro-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride has a molecular weight of 354.67 g/mol, XLogP of 1.87, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride is sourced from PubChem (CID 120828973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).