2-(2,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]propanamide

C13H19Cl2N3O — CID 54891609

IUPAC2-(2,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]propanamide
SMILESCN(C)CCNC(C)(C(N)=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H19Cl2N3O/c1-13(12(16)19,17-6-7-18(2)3)10-5-4-9(14)8-11(10)15/h4-5,8,17H,6-7H2,1-3H3,(H2,16,19)
InChIKeyIIYIGQKZIAYZES-UHFFFAOYSA-N
MW304.22 g/mol
LogP1.85
Rot. Bonds6

About 2-(2,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]propanamide

2-(2,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]propanamide (PubChem CID 54891609) has the molecular formula C13H19Cl2N3O and a molecular weight of 304.22 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]propanamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]propanamide
PubChem CID54891609
Molecular FormulaC13H19Cl2N3O
Molecular Weight304.22 g/mol
Exact Mass303.09
IUPAC Name2-(2,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]propanamide
SMILESCN(C)CCNC(C)(C(N)=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H19Cl2N3O/c1-13(12(16)19,17-6-7-18(2)3)10-5-4-9(14)8-11(10)15/h4-5,8,17H,6-7H2,1-3H3,(H2,16,19)
InChIKeyIIYIGQKZIAYZES-UHFFFAOYSA-N
XLogP1.85
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-fluorophenyl)-2-[2-(dimethylamino)ethylamino]propanamide
CID 54891418
2-(5-bromo-2-fluorophenyl)-2-[2-(dimethylamino)ethylamino]propanamide
CID 82967482
2-(2,4-dichlorophenyl)-2-(propan-2-ylamino)propanamide
CID 54918479
2-[2-(dimethylamino)ethylamino]-2-(2-methoxy-5-methylphenyl)propanamide
CID 60992003
2-(2,5-dichlorophenyl)-2-(ethylamino)propanamide
CID 60787377
2-[2-(dimethylamino)ethylamino]-2-[4-(dimethylamino)phenyl]propanamide
CID 60995360
2-[2-(dimethylamino)ethylamino]-2-(2,4,6-trimethylphenyl)propanamide
CID 60991164
2-(4-bromophenyl)-2-[2-(dimethylamino)ethylamino]propanamide
CID 54891318
methyl 2-(2,4-dichloro-5-fluorophenyl)-2-[2-(dimethylamino)ethylamino]propanoate
CID 61001178
2-[2-(dimethylamino)ethylamino]-2-(3-methoxyphenyl)propanamide
CID 54891175
2-(5-bromofuran-2-yl)-2-[2-(dimethylamino)ethylamino]propanamide
CID 104653361
2-(4-bromo-2-chlorophenyl)-2-(ethylamino)propanamide
CID 82773747

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]propanamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]propanamide (CID 54891609) is 2-(2,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]propanamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]propanamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]propanamide is CN(C)CCNC(C)(C(N)=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]propanamide?
The InChIKey is IIYIGQKZIAYZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N3O/c1-13(12(16)19,17-6-7-18(2)3)10-5-4-9(14)8-11(10)15/h4-5,8,17H,6-7H2,1-3H3,(H2,16,19).
What are the key properties of 2-(2,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]propanamide?
2-(2,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]propanamide has a molecular weight of 304.22 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]propanamide is sourced from PubChem (CID 54891609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).