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

C18H16ClN3O2 — CID 108969023

IUPACN-(4-chlorophenyl)-N'-(4-cyanophenyl)-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C18H16ClN3O2/c1-18(2,17(24)22-15-9-5-13(19)6-10-15)16(23)21-14-7-3-12(11-20)4-8-14/h3-10H,1-2H3,(H,21,23)(H,22,24)
InChIKeyRZOFKNJRCGDEFK-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.82
Rot. Bonds4

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

N-(4-chlorophenyl)-N'-(4-cyanophenyl)-2,2-dimethylpropanediamide (PubChem CID 108969023) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N'-(4-cyanophenyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N'-(4-cyanophenyl)-2,2-dimethylpropanediamide
PubChem CID108969023
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC NameN-(4-chlorophenyl)-N'-(4-cyanophenyl)-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C18H16ClN3O2/c1-18(2,17(24)22-15-9-5-13(19)6-10-15)16(23)21-14-7-3-12(11-20)4-8-14/h3-10H,1-2H3,(H,21,23)(H,22,24)
InChIKeyRZOFKNJRCGDEFK-UHFFFAOYSA-N
XLogP3.82
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.82
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-(4-cyanophenyl)-2,2-dimethyl-N'-(4-propan-2-ylphenyl)propanediamide
CID 108968519
N-(2-chlorophenyl)-N'-(4-cyanophenyl)-2,2-dimethylpropanediamide
CID 108968904
N-(4-cyanophenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969446
N-(4-cyanophenyl)-2,2-dimethylpropanamide
CID 4927441
N-(3-chloro-2-methylphenyl)-N'-(4-cyanophenyl)-2,2-dimethylpropanediamide
CID 108969063
N-(4-cyanophenyl)-2,2-difluoropropanamide
CID 142563454
N-(4-cyanophenyl)-N'-(2,4-difluorophenyl)-2,2-dimethylpropanediamide
CID 108970065
3-(4-chloroanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 10681593
4-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109049994
N-(4-acetylphenyl)-N'-(4-chlorophenyl)-2,2-dimethylpropanediamide
CID 108968994
N-(4-cyanophenyl)-2,2-dimethyl-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108969922
N-(4-cyanophenyl)-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide
CID 108960346

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N'-(4-cyanophenyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-(4-chlorophenyl)-N'-(4-cyanophenyl)-2,2-dimethylpropanediamide (CID 108969023) is N-(4-chlorophenyl)-N'-(4-cyanophenyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(4-chlorophenyl)-N'-(4-cyanophenyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-(4-chlorophenyl)-N'-(4-cyanophenyl)-2,2-dimethylpropanediamide is CC(C)(C(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of N-(4-chlorophenyl)-N'-(4-cyanophenyl)-2,2-dimethylpropanediamide?
The InChIKey is RZOFKNJRCGDEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-18(2,17(24)22-15-9-5-13(19)6-10-15)16(23)21-14-7-3-12(11-20)4-8-14/h3-10H,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-(4-chlorophenyl)-N'-(4-cyanophenyl)-2,2-dimethylpropanediamide?
N-(4-chlorophenyl)-N'-(4-cyanophenyl)-2,2-dimethylpropanediamide has a molecular weight of 341.80 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N'-(4-cyanophenyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108969023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).