N'-[(2-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]propanediamide

C15H22ClN3O2 — CID 108944155

IUPACN'-[(2-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]propanediamide
SMILESCN(C)CCCNC(=O)CC(=O)NCc1ccccc1Cl
InChIInChI=1S/C15H22ClN3O2/c1-19(2)9-5-8-17-14(20)10-15(21)18-11-12-6-3-4-7-13(12)16/h3-4,6-7H,5,8-11H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyBJZHPOKYAQLTGZ-UHFFFAOYSA-N
MW311.81 g/mol
LogP1.41
Rot. Bonds8

About N'-[(2-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]propanediamide

N'-[(2-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]propanediamide (PubChem CID 108944155) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is N'-[(2-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]propanediamide.

Molecular Properties

Compound NameN'-[(2-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]propanediamide
PubChem CID108944155
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC NameN'-[(2-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]propanediamide
SMILESCN(C)CCCNC(=O)CC(=O)NCc1ccccc1Cl
InChIInChI=1S/C15H22ClN3O2/c1-19(2)9-5-8-17-14(20)10-15(21)18-11-12-6-3-4-7-13(12)16/h3-4,6-7H,5,8-11H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyBJZHPOKYAQLTGZ-UHFFFAOYSA-N
XLogP1.41
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.41
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

2-[(2-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]acetamide
CID 108995200
N-[(2-chlorophenyl)methyl]-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide
CID 113138353
2-(2-chloroanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 108995281
6-[(2-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]pyridazine-3-carboxamide
CID 109115965
N-[(2-chlorophenyl)methyl]-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide
CID 109115796
N-benzyl-N'-[(2-chlorophenyl)methyl]propanediamide
CID 108945203
2-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]benzoic acid
CID 113431488
3-[[3-[(2-chlorophenyl)methylamino]-3-oxopropyl]-methylamino]propanoic acid
CID 119912081
4-[(2-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide
CID 113106248
2-(2-chloro-6-fluorophenyl)-N-[3-(dimethylamino)propyl]acetamide
CID 132964109
2-[3-(dimethylamino)propylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 108995055
N-[3-(dimethylamino)propyl]-2-(2-nitrophenyl)acetamide
CID 3387628

Frequently Asked Questions

What is the IUPAC name of N'-[(2-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]propanediamide?
The IUPAC name of N'-[(2-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]propanediamide (CID 108944155) is N'-[(2-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]propanediamide.
What is the SMILES notation for N'-[(2-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]propanediamide?
The canonical SMILES for N'-[(2-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]propanediamide is CN(C)CCCNC(=O)CC(=O)NCc1ccccc1Cl.
What is the InChIKey of N'-[(2-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]propanediamide?
The InChIKey is BJZHPOKYAQLTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-19(2)9-5-8-17-14(20)10-15(21)18-11-12-6-3-4-7-13(12)16/h3-4,6-7H,5,8-11H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N'-[(2-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]propanediamide?
N'-[(2-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]propanediamide has a molecular weight of 311.81 g/mol, XLogP of 1.41, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]propanediamide is sourced from PubChem (CID 108944155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).