1-(2,4-dichlorophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]propan-1-one

C16H16Cl2N2O — CID 62052399

IUPAC1-(2,4-dichlorophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]propan-1-one
SMILESCC(C(=O)c1ccc(Cl)cc1Cl)N(C)Cc1cccnc1
InChIInChI=1S/C16H16Cl2N2O/c1-11(20(2)10-12-4-3-7-19-9-12)16(21)14-6-5-13(17)8-15(14)18/h3-9,11H,10H2,1-2H3
InChIKeyWBTYIUDFOXUYJR-UHFFFAOYSA-N
MW323.22 g/mol
LogP4.09
Rot. Bonds5

About 1-(2,4-dichlorophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]propan-1-one

1-(2,4-dichlorophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]propan-1-one (PubChem CID 62052399) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]propan-1-one
PubChem CID62052399
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC Name1-(2,4-dichlorophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]propan-1-one
SMILESCC(C(=O)c1ccc(Cl)cc1Cl)N(C)Cc1cccnc1
InChIInChI=1S/C16H16Cl2N2O/c1-11(20(2)10-12-4-3-7-19-9-12)16(21)14-6-5-13(17)8-15(14)18/h3-9,11H,10H2,1-2H3
InChIKeyWBTYIUDFOXUYJR-UHFFFAOYSA-N
XLogP4.09
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2,4-dichlorophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,4-dichlorophenyl)-2-[methyl(pentyl)amino]propan-1-one
CID 43796048
1-(4-fluorophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]propan-1-one
CID 62051227
2-[methyl(pyridin-3-ylmethyl)amino]propanehydrazide
CID 63571441
2-[benzyl(methyl)amino]-1-(3-chlorophenyl)propan-1-one
CID 62050558
2-[[1-(2,4-dichlorophenyl)-1-oxopropan-2-yl]-methylamino]-N-ethylacetamide
CID 62036106
2,4-dichloro-N-(4-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 40983545
5-amino-2-chloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 61114903
2-bromo-4-chloro-N-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 168853809
4-chloro-2-[methyl(pyridin-3-ylmethyl)amino]benzenecarbothioamide
CID 63083726
N-[(2,4-dichlorophenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 168853808
1-(2,4-dichlorophenyl)-2-pyridin-3-ylpent-4-yn-1-one
CID 57282493
[(2R)-1-[benzyl(methyl)amino]propan-2-yl] 2,4-dichlorobenzoate
CID 989933

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]propan-1-one?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]propan-1-one (CID 62052399) is 1-(2,4-dichlorophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]propan-1-one.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]propan-1-one?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]propan-1-one is CC(C(=O)c1ccc(Cl)cc1Cl)N(C)Cc1cccnc1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]propan-1-one?
The InChIKey is WBTYIUDFOXUYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c1-11(20(2)10-12-4-3-7-19-9-12)16(21)14-6-5-13(17)8-15(14)18/h3-9,11H,10H2,1-2H3.
What are the key properties of 1-(2,4-dichlorophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]propan-1-one?
1-(2,4-dichlorophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]propan-1-one has a molecular weight of 323.22 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]propan-1-one is sourced from PubChem (CID 62052399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).