N-(2,6-dichlorophenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide

C19H20Cl2N2O2 — CID 108962082

IUPACN-(2,6-dichlorophenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide
SMILESCc1ccc(CNC(=O)C(C)(C)C(=O)Nc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C19H20Cl2N2O2/c1-12-7-9-13(10-8-12)11-22-17(24)19(2,3)18(25)23-16-14(20)5-4-6-15(16)21/h4-10H,11H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyXGANOQJPEXZLBV-UHFFFAOYSA-N
MW379.29 g/mol
LogP4.58
Rot. Bonds5

About N-(2,6-dichlorophenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide

N-(2,6-dichlorophenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide (PubChem CID 108962082) has the molecular formula C19H20Cl2N2O2 and a molecular weight of 379.29 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide
PubChem CID108962082
Molecular FormulaC19H20Cl2N2O2
Molecular Weight379.29 g/mol
Exact Mass378.09
IUPAC NameN-(2,6-dichlorophenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide
SMILESCc1ccc(CNC(=O)C(C)(C)C(=O)Nc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C19H20Cl2N2O2/c1-12-7-9-13(10-8-12)11-22-17(24)19(2,3)18(25)23-16-14(20)5-4-6-15(16)21/h4-10H,11H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyXGANOQJPEXZLBV-UHFFFAOYSA-N
XLogP4.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dimethylphenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide
CID 108962017
N-(2-ethyl-6-methylphenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide
CID 108962022
2,2-dimethyl-N-[(4-methylphenyl)methyl]-N'-(pyridin-4-ylmethyl)propanediamide
CID 108961964
N-(2,6-dichlorophenyl)-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide
CID 108961477
N-(2-tert-butylphenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide
CID 108962027
N-(3-chloro-2-methylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108963070
N-benzyl-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108961574
N-[(4-chlorophenyl)methyl]-N'-(2,3-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108962818
N-(2,6-difluorophenyl)-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963792
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 113001445
N-[(2-chlorophenyl)methyl]-N'-(2,6-difluorophenyl)-2,2-dimethylpropanediamide
CID 108962767
2,2-dimethyl-N-[(4-methylphenyl)methyl]-N'-(pyridin-2-ylmethyl)propanediamide
CID 108961962

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide (CID 108962082) is N-(2,6-dichlorophenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide is Cc1ccc(CNC(=O)C(C)(C)C(=O)Nc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of N-(2,6-dichlorophenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide?
The InChIKey is XGANOQJPEXZLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O2/c1-12-7-9-13(10-8-12)11-22-17(24)19(2,3)18(25)23-16-14(20)5-4-6-15(16)21/h4-10H,11H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-(2,6-dichlorophenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide?
N-(2,6-dichlorophenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide has a molecular weight of 379.29 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide is sourced from PubChem (CID 108962082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).