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

C18H15F2N3O2 — CID 108970065

IUPACN-(4-cyanophenyl)-N'-(2,4-difluorophenyl)-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)Nc1ccc(C#N)cc1)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C18H15F2N3O2/c1-18(2,16(24)22-13-6-3-11(10-21)4-7-13)17(25)23-15-8-5-12(19)9-14(15)20/h3-9H,1-2H3,(H,22,24)(H,23,25)
InChIKeyLGSKBPJAYUDUCF-UHFFFAOYSA-N
MW343.33 g/mol
LogP3.44
Rot. Bonds4

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

N-(4-cyanophenyl)-N'-(2,4-difluorophenyl)-2,2-dimethylpropanediamide (PubChem CID 108970065) has the molecular formula C18H15F2N3O2 and a molecular weight of 343.33 g/mol. Its IUPAC name is N-(4-cyanophenyl)-N'-(2,4-difluorophenyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-N'-(2,4-difluorophenyl)-2,2-dimethylpropanediamide
PubChem CID108970065
Molecular FormulaC18H15F2N3O2
Molecular Weight343.33 g/mol
Exact Mass343.11
IUPAC NameN-(4-cyanophenyl)-N'-(2,4-difluorophenyl)-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)Nc1ccc(C#N)cc1)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C18H15F2N3O2/c1-18(2,16(24)22-13-6-3-11(10-21)4-7-13)17(25)23-15-8-5-12(19)9-14(15)20/h3-9H,1-2H3,(H,22,24)(H,23,25)
InChIKeyLGSKBPJAYUDUCF-UHFFFAOYSA-N
XLogP3.44
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 53.44
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-(2,4-difluorophenyl)-N'-(4-fluorophenyl)-2,2-dimethylpropanediamide
CID 108968827
N-(4-chlorophenyl)-N'-(2,4-difluorophenyl)-2,2-dimethylpropanediamide
CID 108969011
N-(4-chlorophenyl)-N'-(4-cyanophenyl)-2,2-dimethylpropanediamide
CID 108969023
2-bromo-N-(4-cyano-2-fluorophenyl)-2-methylpropanamide
CID 114328975
N-(4-cyanophenyl)-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108969688
N-(2-chlorophenyl)-N'-(4-cyanophenyl)-2,2-dimethylpropanediamide
CID 108968904
2-cyano-N-(2,4-difluorophenyl)-2-methylbutanamide
CID 113270152
N-(4-cyanophenyl)-2,2-difluoropropanamide
CID 142563454
N-(4-cyanophenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969446
N-[4-(2,4-difluoroanilino)phenyl]-2,2-dimethylpropanamide
CID 112989406
N-(4-cyanophenyl)-2,2-dimethyl-N'-(4-propan-2-ylphenyl)propanediamide
CID 108968519
N-(4-cyanophenyl)-2,2-dimethylpropanamide
CID 4927441

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-N'-(2,4-difluorophenyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-(4-cyanophenyl)-N'-(2,4-difluorophenyl)-2,2-dimethylpropanediamide (CID 108970065) is N-(4-cyanophenyl)-N'-(2,4-difluorophenyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(4-cyanophenyl)-N'-(2,4-difluorophenyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-(4-cyanophenyl)-N'-(2,4-difluorophenyl)-2,2-dimethylpropanediamide is CC(C)(C(=O)Nc1ccc(C#N)cc1)C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of N-(4-cyanophenyl)-N'-(2,4-difluorophenyl)-2,2-dimethylpropanediamide?
The InChIKey is LGSKBPJAYUDUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O2/c1-18(2,16(24)22-13-6-3-11(10-21)4-7-13)17(25)23-15-8-5-12(19)9-14(15)20/h3-9H,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-(4-cyanophenyl)-N'-(2,4-difluorophenyl)-2,2-dimethylpropanediamide?
N-(4-cyanophenyl)-N'-(2,4-difluorophenyl)-2,2-dimethylpropanediamide has a molecular weight of 343.33 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-N'-(2,4-difluorophenyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108970065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).