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

C17H15Cl3N2O2 — CID 108968895

IUPACN-(2-chlorophenyl)-N'-(2,4-dichlorophenyl)-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)Nc1ccccc1Cl)C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H15Cl3N2O2/c1-17(2,15(23)21-13-6-4-3-5-11(13)19)16(24)22-14-8-7-10(18)9-12(14)20/h3-9H,1-2H3,(H,21,23)(H,22,24)
InChIKeyIHZOERIDMANZEQ-UHFFFAOYSA-N
MW385.68 g/mol
LogP5.25
Rot. Bonds4

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

N-(2-chlorophenyl)-N'-(2,4-dichlorophenyl)-2,2-dimethylpropanediamide (PubChem CID 108968895) has the molecular formula C17H15Cl3N2O2 and a molecular weight of 385.68 g/mol. Its IUPAC name is N-(2-chlorophenyl)-N'-(2,4-dichlorophenyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-N'-(2,4-dichlorophenyl)-2,2-dimethylpropanediamide
PubChem CID108968895
Molecular FormulaC17H15Cl3N2O2
Molecular Weight385.68 g/mol
Exact Mass384.02
IUPAC NameN-(2-chlorophenyl)-N'-(2,4-dichlorophenyl)-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)Nc1ccccc1Cl)C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H15Cl3N2O2/c1-17(2,15(23)21-13-6-4-3-5-11(13)19)16(24)22-14-8-7-10(18)9-12(14)20/h3-9H,1-2H3,(H,21,23)(H,22,24)
InChIKeyIHZOERIDMANZEQ-UHFFFAOYSA-N
XLogP5.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.68
LogP ≤ 55.25
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'-(5-chloro-2-methylphenyl)-N-(2-chlorophenyl)-2,2-dimethylpropanediamide
CID 108968853
N-(2-cyanophenyl)-N'-(2,4-dichlorophenyl)-2,2-dimethylpropanediamide
CID 108970103
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-(2,4-dichlorophenyl)-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108967412
2,2-dichloro-N-(2,4-dichlorophenyl)propanamide
CID 521736
N-(2,4-dichlorophenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
CID 108963909
N-(2-bromophenyl)-N'-(2-chlorophenyl)-2,2-dimethylpropanediamide
CID 108968886
N-(2,4-dichlorophenyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide
CID 108958896
N-(2-chlorophenyl)-3-(2,4-dichloroanilino)propanamide
CID 109037852
N-(4-acetylphenyl)-N'-(2-chlorophenyl)-2,2-dimethylpropanediamide
CID 108968875
N-(2-chlorophenyl)-2,2-dimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108968909

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-N'-(2,4-dichlorophenyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-(2-chlorophenyl)-N'-(2,4-dichlorophenyl)-2,2-dimethylpropanediamide (CID 108968895) is N-(2-chlorophenyl)-N'-(2,4-dichlorophenyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(2-chlorophenyl)-N'-(2,4-dichlorophenyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-(2-chlorophenyl)-N'-(2,4-dichlorophenyl)-2,2-dimethylpropanediamide is CC(C)(C(=O)Nc1ccccc1Cl)C(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-N'-(2,4-dichlorophenyl)-2,2-dimethylpropanediamide?
The InChIKey is IHZOERIDMANZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl3N2O2/c1-17(2,15(23)21-13-6-4-3-5-11(13)19)16(24)22-14-8-7-10(18)9-12(14)20/h3-9H,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-(2-chlorophenyl)-N'-(2,4-dichlorophenyl)-2,2-dimethylpropanediamide?
N-(2-chlorophenyl)-N'-(2,4-dichlorophenyl)-2,2-dimethylpropanediamide has a molecular weight of 385.68 g/mol, XLogP of 5.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-N'-(2,4-dichlorophenyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108968895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).