N-(3-chloro-2-methylphenyl)-N'-(4-cyanophenyl)-2,2-dimethylpropanediamide

C19H18ClN3O2 — CID 108969063

IUPACN-(3-chloro-2-methylphenyl)-N'-(4-cyanophenyl)-2,2-dimethylpropanediamide
SMILESCc1c(Cl)cccc1NC(=O)C(C)(C)C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C19H18ClN3O2/c1-12-15(20)5-4-6-16(12)23-18(25)19(2,3)17(24)22-14-9-7-13(11-21)8-10-14/h4-10H,1-3H3,(H,22,24)(H,23,25)
InChIKeyJJULAPCCLFZCEE-UHFFFAOYSA-N
MW355.83 g/mol
LogP4.12
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-N'-(4-cyanophenyl)-2,2-dimethylpropanediamide

N-(3-chloro-2-methylphenyl)-N'-(4-cyanophenyl)-2,2-dimethylpropanediamide (PubChem CID 108969063) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-N'-(4-cyanophenyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-N'-(4-cyanophenyl)-2,2-dimethylpropanediamide
PubChem CID108969063
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC NameN-(3-chloro-2-methylphenyl)-N'-(4-cyanophenyl)-2,2-dimethylpropanediamide
SMILESCc1c(Cl)cccc1NC(=O)C(C)(C)C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C19H18ClN3O2/c1-12-15(20)5-4-6-16(12)23-18(25)19(2,3)17(24)22-14-9-7-13(11-21)8-10-14/h4-10H,1-3H3,(H,22,24)(H,23,25)
InChIKeyJJULAPCCLFZCEE-UHFFFAOYSA-N
XLogP4.12
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 54.12
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'-(4-cyanophenyl)-2,2-dimethylpropanediamide
CID 108968904
N-(4-chlorophenyl)-N'-(4-cyanophenyl)-2,2-dimethylpropanediamide
CID 108969023
N-(3-chloro-2-methylphenyl)-N'-(3,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967942
N-(4-cyanophenyl)-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108969688
4-(3-chloro-2-methylanilino)benzonitrile
CID 29031552
N-(4-cyanophenyl)-2,2-dimethyl-N'-(4-propan-2-ylphenyl)propanediamide
CID 108968519
N-(4-cyanophenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969446
N-(4-cyanophenyl)-2,2-dimethylpropanamide
CID 4927441
N-(4-cyanophenyl)-N'-(2,4-difluorophenyl)-2,2-dimethylpropanediamide
CID 108970065
N-(4-cyanophenyl)-2,2-dimethyl-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108969922
N-(3-chloro-2-methylphenyl)-2,2-dimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108969068
N-(3-chloro-2-methylphenyl)-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide
CID 108960274

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-N'-(4-cyanophenyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-N'-(4-cyanophenyl)-2,2-dimethylpropanediamide (CID 108969063) is N-(3-chloro-2-methylphenyl)-N'-(4-cyanophenyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-N'-(4-cyanophenyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-N'-(4-cyanophenyl)-2,2-dimethylpropanediamide is Cc1c(Cl)cccc1NC(=O)C(C)(C)C(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-N'-(4-cyanophenyl)-2,2-dimethylpropanediamide?
The InChIKey is JJULAPCCLFZCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-12-15(20)5-4-6-16(12)23-18(25)19(2,3)17(24)22-14-9-7-13(11-21)8-10-14/h4-10H,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-(3-chloro-2-methylphenyl)-N'-(4-cyanophenyl)-2,2-dimethylpropanediamide?
N-(3-chloro-2-methylphenyl)-N'-(4-cyanophenyl)-2,2-dimethylpropanediamide has a molecular weight of 355.83 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-N'-(4-cyanophenyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108969063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).