N'-(2,4-dichlorophenyl)-N-[3-(dimethylamino)propyl]propanediamide

C14H19Cl2N3O2 — CID 108944302

IUPACN'-(2,4-dichlorophenyl)-N-[3-(dimethylamino)propyl]propanediamide
SMILESCN(C)CCCNC(=O)CC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2N3O2/c1-19(2)7-3-6-17-13(20)9-14(21)18-12-5-4-10(15)8-11(12)16/h4-5,8H,3,6-7,9H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyQKMMYODUAFRBKE-UHFFFAOYSA-N
MW332.23 g/mol
LogP2.39
Rot. Bonds7

About N'-(2,4-dichlorophenyl)-N-[3-(dimethylamino)propyl]propanediamide

N'-(2,4-dichlorophenyl)-N-[3-(dimethylamino)propyl]propanediamide (PubChem CID 108944302) has the molecular formula C14H19Cl2N3O2 and a molecular weight of 332.23 g/mol. Its IUPAC name is N'-(2,4-dichlorophenyl)-N-[3-(dimethylamino)propyl]propanediamide.

Molecular Properties

Compound NameN'-(2,4-dichlorophenyl)-N-[3-(dimethylamino)propyl]propanediamide
PubChem CID108944302
Molecular FormulaC14H19Cl2N3O2
Molecular Weight332.23 g/mol
Exact Mass331.09
IUPAC NameN'-(2,4-dichlorophenyl)-N-[3-(dimethylamino)propyl]propanediamide
SMILESCN(C)CCCNC(=O)CC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2N3O2/c1-19(2)7-3-6-17-13(20)9-14(21)18-12-5-4-10(15)8-11(12)16/h4-5,8H,3,6-7,9H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyQKMMYODUAFRBKE-UHFFFAOYSA-N
XLogP2.39
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N'-(2,4-dichlorophenyl)-N-(2-methoxyethyl)propanediamide
CID 108943222
N-(5-chloro-2-methylphenyl)-2-[3-(dimethylamino)propylamino]acetamide
CID 43405018
N-(4-chloro-2-methylphenyl)-N'-(2,4-dichlorophenyl)propanediamide
CID 108955225
N'-(4-chloro-2-methylphenyl)-N-[3-(dimethylamino)propyl]oxamide
CID 47225106
N-(4-chlorophenyl)-N'-(2,4-dichlorophenyl)propanediamide
CID 108955063
N-(2,4-dichlorophenyl)propanamide
CID 923083
N'-(4-acetamidophenyl)-N-[3-(dimethylamino)propyl]propanediamide
CID 108944268
2-(butylamino)-N-(2,4-dichlorophenyl)acetamide
CID 54815344
N'-(3-chloro-4-fluorophenyl)-N-[2-(dimethylamino)ethyl]propanediamide
CID 108943891
2-[bis(2-hydroxyethyl)amino]-N-(2,4-dichlorophenyl)acetamide
CID 18870879
N'-[(2-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]propanediamide
CID 108944155
2-(dibutylamino)-N-(2,4-dichlorophenyl)acetamide
CID 18870877

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-dichlorophenyl)-N-[3-(dimethylamino)propyl]propanediamide?
The IUPAC name of N'-(2,4-dichlorophenyl)-N-[3-(dimethylamino)propyl]propanediamide (CID 108944302) is N'-(2,4-dichlorophenyl)-N-[3-(dimethylamino)propyl]propanediamide.
What is the SMILES notation for N'-(2,4-dichlorophenyl)-N-[3-(dimethylamino)propyl]propanediamide?
The canonical SMILES for N'-(2,4-dichlorophenyl)-N-[3-(dimethylamino)propyl]propanediamide is CN(C)CCCNC(=O)CC(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N'-(2,4-dichlorophenyl)-N-[3-(dimethylamino)propyl]propanediamide?
The InChIKey is QKMMYODUAFRBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3O2/c1-19(2)7-3-6-17-13(20)9-14(21)18-12-5-4-10(15)8-11(12)16/h4-5,8H,3,6-7,9H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N'-(2,4-dichlorophenyl)-N-[3-(dimethylamino)propyl]propanediamide?
N'-(2,4-dichlorophenyl)-N-[3-(dimethylamino)propyl]propanediamide has a molecular weight of 332.23 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-dichlorophenyl)-N-[3-(dimethylamino)propyl]propanediamide is sourced from PubChem (CID 108944302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).