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

C18H19ClN2O2 — CID 108967452

IUPACN-(3-chlorophenyl)-2,2-dimethyl-N'-(4-methylphenyl)propanediamide
SMILESCc1ccc(NC(=O)C(C)(C)C(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C18H19ClN2O2/c1-12-7-9-14(10-8-12)20-16(22)18(2,3)17(23)21-15-6-4-5-13(19)11-15/h4-11H,1-3H3,(H,20,22)(H,21,23)
InChIKeyKRWQUWSJKZEVKK-UHFFFAOYSA-N
MW330.82 g/mol
LogP4.25
Rot. Bonds4

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

N-(3-chlorophenyl)-2,2-dimethyl-N'-(4-methylphenyl)propanediamide (PubChem CID 108967452) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2,2-dimethyl-N'-(4-methylphenyl)propanediamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2,2-dimethyl-N'-(4-methylphenyl)propanediamide
PubChem CID108967452
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC NameN-(3-chlorophenyl)-2,2-dimethyl-N'-(4-methylphenyl)propanediamide
SMILESCc1ccc(NC(=O)C(C)(C)C(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C18H19ClN2O2/c1-12-7-9-14(10-8-12)20-16(22)18(2,3)17(23)21-15-6-4-5-13(19)11-15/h4-11H,1-3H3,(H,20,22)(H,21,23)
InChIKeyKRWQUWSJKZEVKK-UHFFFAOYSA-N
XLogP4.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 54.25
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)-N'-(2,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967805
N-(3-chlorophenyl)-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108968527
N-(3,4-difluorophenyl)-2,2-dimethyl-N'-(4-methylphenyl)propanediamide
CID 108967527
4-N-(3-chlorophenyl)-1-N-(4-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150478
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
3-chloro-N-(4-methylphenyl)benzamide
CID 722375
N-(3-acetylphenyl)-N'-(4-acetylphenyl)-2,2-dimethylpropanediamide
CID 108969722
2-amino-N-(3-chlorophenyl)-2-ethylbutanamide
CID 79809226

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2,2-dimethyl-N'-(4-methylphenyl)propanediamide?
The IUPAC name of N-(3-chlorophenyl)-2,2-dimethyl-N'-(4-methylphenyl)propanediamide (CID 108967452) is N-(3-chlorophenyl)-2,2-dimethyl-N'-(4-methylphenyl)propanediamide.
What is the SMILES notation for N-(3-chlorophenyl)-2,2-dimethyl-N'-(4-methylphenyl)propanediamide?
The canonical SMILES for N-(3-chlorophenyl)-2,2-dimethyl-N'-(4-methylphenyl)propanediamide is Cc1ccc(NC(=O)C(C)(C)C(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of N-(3-chlorophenyl)-2,2-dimethyl-N'-(4-methylphenyl)propanediamide?
The InChIKey is KRWQUWSJKZEVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-12-7-9-14(10-8-12)20-16(22)18(2,3)17(23)21-15-6-4-5-13(19)11-15/h4-11H,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-(3-chlorophenyl)-2,2-dimethyl-N'-(4-methylphenyl)propanediamide?
N-(3-chlorophenyl)-2,2-dimethyl-N'-(4-methylphenyl)propanediamide has a molecular weight of 330.82 g/mol, XLogP of 4.25, 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'-(4-methylphenyl)propanediamide is sourced from PubChem (CID 108967452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).