N-(3-chlorophenyl)-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide

C20H23ClN2O2 — CID 108968527

IUPACN-(3-chlorophenyl)-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide
SMILESCc1cc(C)c(NC(=O)C(C)(C)C(=O)Nc2cccc(Cl)c2)c(C)c1
InChIInChI=1S/C20H23ClN2O2/c1-12-9-13(2)17(14(3)10-12)23-19(25)20(4,5)18(24)22-16-8-6-7-15(21)11-16/h6-11H,1-5H3,(H,22,24)(H,23,25)
InChIKeyOJKRMUVSKZMCPT-UHFFFAOYSA-N
MW358.87 g/mol
LogP4.87
Rot. Bonds4

About N-(3-chlorophenyl)-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide

N-(3-chlorophenyl)-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide (PubChem CID 108968527) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide
PubChem CID108968527
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC NameN-(3-chlorophenyl)-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide
SMILESCc1cc(C)c(NC(=O)C(C)(C)C(=O)Nc2cccc(Cl)c2)c(C)c1
InChIInChI=1S/C20H23ClN2O2/c1-12-9-13(2)17(14(3)10-12)23-19(25)20(4,5)18(24)22-16-8-6-7-15(21)11-16/h6-11H,1-5H3,(H,22,24)(H,23,25)
InChIKeyOJKRMUVSKZMCPT-UHFFFAOYSA-N
XLogP4.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.87
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-(3-chlorophenyl)-2,2-dimethyl-N'-(4-methylphenyl)propanediamide
CID 108967452
N-(3-chlorophenyl)-N'-(2,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967805
N-(2,6-dimethylphenyl)-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967996
N-(3,4-difluorophenyl)-N'-(2,6-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108968124
N-(4-methoxyphenyl)-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108968533
N-(3-chlorophenyl)-N'-[2-(3-chlorophenyl)ethyl]-2,2-dimethylpropanediamide
CID 108966965
N-(2,4-dichlorophenyl)-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108967412
N-(3-chlorophenyl)-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide
CID 108968198
N-(3-chlorophenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide
CID 108959020
N-(3-chlorophenyl)-N'-[(2-chlorophenyl)methyl]-2,2-dimethylpropanediamide
CID 108962718
N-(3-bromophenyl)-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108968044
1-(3-chlorophenyl)-3-[3-[(3-chlorophenyl)carbamoylamino]-2,4,6-trimethylphenyl]urea
CID 4085959

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide?
The IUPAC name of N-(3-chlorophenyl)-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide (CID 108968527) is N-(3-chlorophenyl)-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide.
What is the SMILES notation for N-(3-chlorophenyl)-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide?
The canonical SMILES for N-(3-chlorophenyl)-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide is Cc1cc(C)c(NC(=O)C(C)(C)C(=O)Nc2cccc(Cl)c2)c(C)c1.
What is the InChIKey of N-(3-chlorophenyl)-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide?
The InChIKey is OJKRMUVSKZMCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-12-9-13(2)17(14(3)10-12)23-19(25)20(4,5)18(24)22-16-8-6-7-15(21)11-16/h6-11H,1-5H3,(H,22,24)(H,23,25).
What are the key properties of N-(3-chlorophenyl)-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide?
N-(3-chlorophenyl)-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide has a molecular weight of 358.87 g/mol, XLogP of 4.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide is sourced from PubChem (CID 108968527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).