N-(3-aminopropyl)-3-(2,4-dichlorophenyl)propanamide;hydrochloride

C12H17Cl3N2O — CID 119408221

IUPACN-(3-aminopropyl)-3-(2,4-dichlorophenyl)propanamide;hydrochloride
SMILESCl.NCCCNC(=O)CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H16Cl2N2O.ClH/c13-10-4-2-9(11(14)8-10)3-5-12(17)16-7-1-6-15;/h2,4,8H,1,3,5-7,15H2,(H,16,17);1H
InChIKeyZHDZPHFWIKPMCE-UHFFFAOYSA-N
MW311.64 g/mol
LogP2.81
Rot. Bonds6

About N-(3-aminopropyl)-3-(2,4-dichlorophenyl)propanamide;hydrochloride

N-(3-aminopropyl)-3-(2,4-dichlorophenyl)propanamide;hydrochloride (PubChem CID 119408221) has the molecular formula C12H17Cl3N2O and a molecular weight of 311.64 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-(2,4-dichlorophenyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-(2,4-dichlorophenyl)propanamide;hydrochloride
PubChem CID119408221
Molecular FormulaC12H17Cl3N2O
Molecular Weight311.64 g/mol
Exact Mass310.04
IUPAC NameN-(3-aminopropyl)-3-(2,4-dichlorophenyl)propanamide;hydrochloride
SMILESCl.NCCCNC(=O)CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H16Cl2N2O.ClH/c13-10-4-2-9(11(14)8-10)3-5-12(17)16-7-1-6-15;/h2,4,8H,1,3,5-7,15H2,(H,16,17);1H
InChIKeyZHDZPHFWIKPMCE-UHFFFAOYSA-N
XLogP2.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.64
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-chlorophenyl)propyl]-3-(2,4-dichlorophenyl)propanamide
CID 100608161
N-(3-aminopropyl)-3-(2-chlorophenyl)propanamide
CID 94687820
3-(2,4-dichlorophenyl)-N-(3-methoxypropyl)propanamide
CID 94001130
3-(2-aminophenyl)-N-[3-(2,4-dichlorophenyl)propyl]propanamide
CID 120611624
5-[3-(2,4-dichlorophenyl)propanoylamino]-2-methylpentanoic acid
CID 104681872
4-[2-(2,4-dichlorophenyl)ethylamino]-4-oxobutanoic acid
CID 9151806
5-amino-N-[2-(2,4-dichlorophenyl)ethyl]-4-methylpentanamide
CID 82017216
N-(3-cyclohexyloxypropyl)-3-(2,4-dichlorophenyl)propanamide
CID 100608367
3-(2,4-dichlorophenyl)-N-methylpropanamide
CID 60731277
3-(2,4-dichlorophenyl)-N-[3-(2-ethoxyphenyl)propyl]propanamide
CID 100606977
3-(2,4-dichlorophenyl)-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120830392
N-[4-[2-(2,4-dichlorophenyl)ethylamino]-4-oxobutyl]benzamide
CID 46650943

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-(2,4-dichlorophenyl)propanamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-3-(2,4-dichlorophenyl)propanamide;hydrochloride (CID 119408221) is N-(3-aminopropyl)-3-(2,4-dichlorophenyl)propanamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-3-(2,4-dichlorophenyl)propanamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-3-(2,4-dichlorophenyl)propanamide;hydrochloride is Cl.NCCCNC(=O)CCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(3-aminopropyl)-3-(2,4-dichlorophenyl)propanamide;hydrochloride?
The InChIKey is ZHDZPHFWIKPMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O.ClH/c13-10-4-2-9(11(14)8-10)3-5-12(17)16-7-1-6-15;/h2,4,8H,1,3,5-7,15H2,(H,16,17);1H.
What are the key properties of N-(3-aminopropyl)-3-(2,4-dichlorophenyl)propanamide;hydrochloride?
N-(3-aminopropyl)-3-(2,4-dichlorophenyl)propanamide;hydrochloride has a molecular weight of 311.64 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-(2,4-dichlorophenyl)propanamide;hydrochloride is sourced from PubChem (CID 119408221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).