N-[(4-chlorophenyl)methyl]-N'-(2,3-dimethylphenyl)-2,2-dimethylpropanediamide

C20H23ClN2O2 — CID 108962818

IUPACN-[(4-chlorophenyl)methyl]-N'-(2,3-dimethylphenyl)-2,2-dimethylpropanediamide
SMILESCc1cccc(NC(=O)C(C)(C)C(=O)NCc2ccc(Cl)cc2)c1C
InChIInChI=1S/C20H23ClN2O2/c1-13-6-5-7-17(14(13)2)23-19(25)20(3,4)18(24)22-12-15-8-10-16(21)11-9-15/h5-11H,12H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyVOVLKUKWMZZIER-UHFFFAOYSA-N
MW358.87 g/mol
LogP4.24
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-N'-(2,3-dimethylphenyl)-2,2-dimethylpropanediamide

N-[(4-chlorophenyl)methyl]-N'-(2,3-dimethylphenyl)-2,2-dimethylpropanediamide (PubChem CID 108962818) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N'-(2,3-dimethylphenyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N'-(2,3-dimethylphenyl)-2,2-dimethylpropanediamide
PubChem CID108962818
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC NameN-[(4-chlorophenyl)methyl]-N'-(2,3-dimethylphenyl)-2,2-dimethylpropanediamide
SMILESCc1cccc(NC(=O)C(C)(C)C(=O)NCc2ccc(Cl)cc2)c1C
InChIInChI=1S/C20H23ClN2O2/c1-13-6-5-7-17(14(13)2)23-19(25)20(3,4)18(24)22-12-15-8-10-16(21)11-9-15/h5-11H,12H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyVOVLKUKWMZZIER-UHFFFAOYSA-N
XLogP4.24
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.24
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-[(4-chlorophenyl)methyl]-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide
CID 108962819
N-(3-chloro-2-methylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108963070
N-(2,3-dimethylphenyl)-2,2-dimethyl-N'-propylpropanediamide
CID 108957073
N-[(4-chlorophenyl)methyl]-N'-(2-ethoxyphenyl)-2,2-dimethylpropanediamide
CID 108962843
N-(3-chloro-2-methylphenyl)-2,2-dimethyl-N'-[(2-methylphenyl)methyl]propanediamide
CID 108961745
N-(2,6-dimethylphenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide
CID 108962017
N-(5-chloro-2-methoxyphenyl)-N'-(2,3-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108968143
N-[(4-chlorophenyl)methyl]-N'-(3-fluorophenyl)-2,2-dimethylpropanediamide
CID 108962863
N-[(4-chlorophenyl)methyl]-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide
CID 108962820
N-(2,6-dichlorophenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide
CID 108962082
N-(2-tert-butylphenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide
CID 108962027
N-(1,3-benzodioxol-5-ylmethyl)-N'-(3-chloro-2-methylphenyl)-2,2-dimethylpropanediamide
CID 108963181

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N'-(2,3-dimethylphenyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N'-(2,3-dimethylphenyl)-2,2-dimethylpropanediamide (CID 108962818) is N-[(4-chlorophenyl)methyl]-N'-(2,3-dimethylphenyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N'-(2,3-dimethylphenyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N'-(2,3-dimethylphenyl)-2,2-dimethylpropanediamide is Cc1cccc(NC(=O)C(C)(C)C(=O)NCc2ccc(Cl)cc2)c1C.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N'-(2,3-dimethylphenyl)-2,2-dimethylpropanediamide?
The InChIKey is VOVLKUKWMZZIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-13-6-5-7-17(14(13)2)23-19(25)20(3,4)18(24)22-12-15-8-10-16(21)11-9-15/h5-11H,12H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of N-[(4-chlorophenyl)methyl]-N'-(2,3-dimethylphenyl)-2,2-dimethylpropanediamide?
N-[(4-chlorophenyl)methyl]-N'-(2,3-dimethylphenyl)-2,2-dimethylpropanediamide has a molecular weight of 358.87 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N'-(2,3-dimethylphenyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108962818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).