3-(2,4-dichlorophenyl)-N-[2-(methylamino)propyl]propanamide;hydrochloride

C13H19Cl3N2O — CID 120830392

IUPAC3-(2,4-dichlorophenyl)-N-[2-(methylamino)propyl]propanamide;hydrochloride
SMILESCNC(C)CNC(=O)CCc1ccc(Cl)cc1Cl.Cl
InChIInChI=1S/C13H18Cl2N2O.ClH/c1-9(16-2)8-17-13(18)6-4-10-3-5-11(14)7-12(10)15;/h3,5,7,9,16H,4,6,8H2,1-2H3,(H,17,18);1H
InChIKeyCMTDTGNVTOXMSR-UHFFFAOYSA-N
MW325.67 g/mol
LogP3.07
Rot. Bonds6

About 3-(2,4-dichlorophenyl)-N-[2-(methylamino)propyl]propanamide;hydrochloride

3-(2,4-dichlorophenyl)-N-[2-(methylamino)propyl]propanamide;hydrochloride (PubChem CID 120830392) has the molecular formula C13H19Cl3N2O and a molecular weight of 325.67 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-N-[2-(methylamino)propyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-N-[2-(methylamino)propyl]propanamide;hydrochloride
PubChem CID120830392
Molecular FormulaC13H19Cl3N2O
Molecular Weight325.67 g/mol
Exact Mass324.06
IUPAC Name3-(2,4-dichlorophenyl)-N-[2-(methylamino)propyl]propanamide;hydrochloride
SMILESCNC(C)CNC(=O)CCc1ccc(Cl)cc1Cl.Cl
InChIInChI=1S/C13H18Cl2N2O.ClH/c1-9(16-2)8-17-13(18)6-4-10-3-5-11(14)7-12(10)15;/h3,5,7,9,16H,4,6,8H2,1-2H3,(H,17,18);1H
InChIKeyCMTDTGNVTOXMSR-UHFFFAOYSA-N
XLogP3.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.67
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,4-dichlorophenyl)-N-(4-hydroxy-2-methylpentyl)propanamide
CID 111447770
3-(2,4-dichlorophenyl)-N-methylpropanamide
CID 60731277
3-(3,4-dichlorophenyl)-N-[2-(methylamino)propyl]propanamide
CID 120831265
N-(3-aminopropyl)-3-(2,4-dichlorophenyl)propanamide;hydrochloride
CID 119408221
5-[3-(2,4-dichlorophenyl)propanoylamino]-2-methylpentanoic acid
CID 104681872
3-(4-bromo-2-chlorophenyl)-N-(2-methylpropyl)propanamide
CID 172652070
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(methylamino)propyl]propanamide
CID 120828775
N-(4-cyclopropyl-2-hydroxybutyl)-3-(2,4-dichlorophenyl)propanamide
CID 166331353
3-(2,4-dichlorophenyl)-N-(3-methoxypropyl)propanamide
CID 94001130
N-(3-amino-2-methylpropyl)-3-(2-bromo-5-chlorophenyl)propanamide;hydrochloride
CID 119995418
3-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylpropanoic acid
CID 62675142
5-amino-N-[2-(2,4-dichlorophenyl)ethyl]-4-methylpentanamide
CID 82017216

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-N-[2-(methylamino)propyl]propanamide;hydrochloride?
The IUPAC name of 3-(2,4-dichlorophenyl)-N-[2-(methylamino)propyl]propanamide;hydrochloride (CID 120830392) is 3-(2,4-dichlorophenyl)-N-[2-(methylamino)propyl]propanamide;hydrochloride.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-N-[2-(methylamino)propyl]propanamide;hydrochloride?
The canonical SMILES for 3-(2,4-dichlorophenyl)-N-[2-(methylamino)propyl]propanamide;hydrochloride is CNC(C)CNC(=O)CCc1ccc(Cl)cc1Cl.Cl.
What is the InChIKey of 3-(2,4-dichlorophenyl)-N-[2-(methylamino)propyl]propanamide;hydrochloride?
The InChIKey is CMTDTGNVTOXMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O.ClH/c1-9(16-2)8-17-13(18)6-4-10-3-5-11(14)7-12(10)15;/h3,5,7,9,16H,4,6,8H2,1-2H3,(H,17,18);1H.
What are the key properties of 3-(2,4-dichlorophenyl)-N-[2-(methylamino)propyl]propanamide;hydrochloride?
3-(2,4-dichlorophenyl)-N-[2-(methylamino)propyl]propanamide;hydrochloride has a molecular weight of 325.67 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-N-[2-(methylamino)propyl]propanamide;hydrochloride is sourced from PubChem (CID 120830392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).