N-(2-chlorophenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide

C18H19ClN2O3 — CID 108968862

IUPACN-(2-chlorophenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
SMILESCOc1ccc(NC(=O)C(C)(C)C(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C18H19ClN2O3/c1-18(2,17(23)21-15-7-5-4-6-14(15)19)16(22)20-12-8-10-13(24-3)11-9-12/h4-11H,1-3H3,(H,20,22)(H,21,23)
InChIKeyUAIJCRPDBAESSR-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.95
Rot. Bonds5

About N-(2-chlorophenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide

N-(2-chlorophenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide (PubChem CID 108968862) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is N-(2-chlorophenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
PubChem CID108968862
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC NameN-(2-chlorophenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
SMILESCOc1ccc(NC(=O)C(C)(C)C(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C18H19ClN2O3/c1-18(2,17(23)21-15-7-5-4-6-14(15)19)16(22)20-12-8-10-13(24-3)11-9-12/h4-11H,1-3H3,(H,20,22)(H,21,23)
InChIKeyUAIJCRPDBAESSR-UHFFFAOYSA-N
XLogP3.95
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethylphenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108968210
N-(4-acetylphenyl)-N'-(2-chlorophenyl)-2,2-dimethylpropanediamide
CID 108968875
N-(2-chlorophenyl)-N'-(4-cyanophenyl)-2,2-dimethylpropanediamide
CID 108968904
N'-(3-chloro-4-fluorophenyl)-N-(2-chlorophenyl)-2,2-dimethylpropanediamide
CID 108968856
N-tert-butyl-N'-(2-chlorophenyl)-2,2-dimethylpropanediamide
CID 108965988
N-(2,5-dimethoxyphenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969408
1-N-(2-chlorophenyl)-2-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109142814
N-(2-bromophenyl)-N'-(2-chlorophenyl)-2,2-dimethylpropanediamide
CID 108968886
N-(2-chlorophenyl)-N'-(2,4-dichlorophenyl)-2,2-dimethylpropanediamide
CID 108968895
N-[4-(dimethylamino)phenyl]-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969421
N-(3-chloro-2-methylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108963070
N-(4-cyanophenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969446

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-(2-chlorophenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide (CID 108968862) is N-(2-chlorophenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(2-chlorophenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-(2-chlorophenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide is COc1ccc(NC(=O)C(C)(C)C(=O)Nc2ccccc2Cl)cc1.
What is the InChIKey of N-(2-chlorophenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide?
The InChIKey is UAIJCRPDBAESSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-18(2,17(23)21-15-7-5-4-6-14(15)19)16(22)20-12-8-10-13(24-3)11-9-12/h4-11H,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-(2-chlorophenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide?
N-(2-chlorophenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide has a molecular weight of 346.81 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108968862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).