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

C18H15Cl2N3O2 — CID 108970103

IUPACN-(2-cyanophenyl)-N'-(2,4-dichlorophenyl)-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C18H15Cl2N3O2/c1-18(2,16(24)22-14-6-4-3-5-11(14)10-21)17(25)23-15-8-7-12(19)9-13(15)20/h3-9H,1-2H3,(H,22,24)(H,23,25)
InChIKeyIIVSMMXKBDDHBX-UHFFFAOYSA-N
MW376.24 g/mol
LogP4.47
Rot. Bonds4

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

N-(2-cyanophenyl)-N'-(2,4-dichlorophenyl)-2,2-dimethylpropanediamide (PubChem CID 108970103) has the molecular formula C18H15Cl2N3O2 and a molecular weight of 376.24 g/mol. Its IUPAC name is N-(2-cyanophenyl)-N'-(2,4-dichlorophenyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-N'-(2,4-dichlorophenyl)-2,2-dimethylpropanediamide
PubChem CID108970103
Molecular FormulaC18H15Cl2N3O2
Molecular Weight376.24 g/mol
Exact Mass375.05
IUPAC NameN-(2-cyanophenyl)-N'-(2,4-dichlorophenyl)-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C18H15Cl2N3O2/c1-18(2,16(24)22-14-6-4-3-5-11(14)10-21)17(25)23-15-8-7-12(19)9-13(15)20/h3-9H,1-2H3,(H,22,24)(H,23,25)
InChIKeyIIVSMMXKBDDHBX-UHFFFAOYSA-N
XLogP4.47
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.24
LogP ≤ 54.47
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-chlorophenyl)-N'-(2,4-dichlorophenyl)-2,2-dimethylpropanediamide
CID 108968895
N,N'-bis(2-cyanophenyl)-2,2-dimethylpropanediamide
CID 108970151
N-(3-chloro-4-fluorophenyl)-N'-(2-cyanophenyl)-2,2-dimethylpropanediamide
CID 108969217
1-N-(2-cyanophenyl)-2-N-(2,4-dichlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109144163
N-(3-chloro-4-methoxyphenyl)-N'-(2-cyanophenyl)-2,2-dimethylpropanediamide
CID 108969258
N-(4-tert-butylphenyl)-N'-(2-cyanophenyl)-2,2-dimethylpropanediamide
CID 108968687
N-(2-cyanophenyl)-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108967421
N'-(5-chloro-2-methylphenyl)-N-(2-chlorophenyl)-2,2-dimethylpropanediamide
CID 108968853
5-chloro-N-(2-cyanophenyl)-2-(methylamino)benzamide
CID 62167777
N-(2,4-dichlorophenyl)-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108967412
N-(5-chloro-2-cyanophenyl)-2-methyl-2-phenylpropanamide
CID 60628690
2,2-dichloro-N-(2,4-dichlorophenyl)propanamide
CID 521736

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-N'-(2,4-dichlorophenyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-(2-cyanophenyl)-N'-(2,4-dichlorophenyl)-2,2-dimethylpropanediamide (CID 108970103) is N-(2-cyanophenyl)-N'-(2,4-dichlorophenyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(2-cyanophenyl)-N'-(2,4-dichlorophenyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-(2-cyanophenyl)-N'-(2,4-dichlorophenyl)-2,2-dimethylpropanediamide is CC(C)(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1C#N.
What is the InChIKey of N-(2-cyanophenyl)-N'-(2,4-dichlorophenyl)-2,2-dimethylpropanediamide?
The InChIKey is IIVSMMXKBDDHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O2/c1-18(2,16(24)22-14-6-4-3-5-11(14)10-21)17(25)23-15-8-7-12(19)9-13(15)20/h3-9H,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-(2-cyanophenyl)-N'-(2,4-dichlorophenyl)-2,2-dimethylpropanediamide?
N-(2-cyanophenyl)-N'-(2,4-dichlorophenyl)-2,2-dimethylpropanediamide has a molecular weight of 376.24 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-N'-(2,4-dichlorophenyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108970103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).