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

C17H15F3N2O2 — CID 108968827

IUPACN-(2,4-difluorophenyl)-N'-(4-fluorophenyl)-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)Nc1ccc(F)cc1)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C17H15F3N2O2/c1-17(2,15(23)21-12-6-3-10(18)4-7-12)16(24)22-14-8-5-11(19)9-13(14)20/h3-9H,1-2H3,(H,21,23)(H,22,24)
InChIKeyBBWZLLUHTRFJKL-UHFFFAOYSA-N
MW336.31 g/mol
LogP3.71
Rot. Bonds4

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

N-(2,4-difluorophenyl)-N'-(4-fluorophenyl)-2,2-dimethylpropanediamide (PubChem CID 108968827) has the molecular formula C17H15F3N2O2 and a molecular weight of 336.31 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-N'-(4-fluorophenyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-N'-(4-fluorophenyl)-2,2-dimethylpropanediamide
PubChem CID108968827
Molecular FormulaC17H15F3N2O2
Molecular Weight336.31 g/mol
Exact Mass336.11
IUPAC NameN-(2,4-difluorophenyl)-N'-(4-fluorophenyl)-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)Nc1ccc(F)cc1)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C17H15F3N2O2/c1-17(2,15(23)21-12-6-3-10(18)4-7-12)16(24)22-14-8-5-11(19)9-13(14)20/h3-9H,1-2H3,(H,21,23)(H,22,24)
InChIKeyBBWZLLUHTRFJKL-UHFFFAOYSA-N
XLogP3.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 53.71
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-(4-chlorophenyl)-N'-(2,4-difluorophenyl)-2,2-dimethylpropanediamide
CID 108969011
N-(4-cyanophenyl)-N'-(2,4-difluorophenyl)-2,2-dimethylpropanediamide
CID 108970065
N-[4-(2,4-difluoroanilino)phenyl]-2,2-dimethylpropanamide
CID 112989406
N-(2,4-difluorophenyl)-2-(4-fluorophenoxy)-2-methylpropanamide
CID 30854578
N'-(2,4-difluorophenyl)-N-(4-fluorophenyl)propanediamide
CID 108954847
3-(4-acetylpiperazin-1-yl)-N-(2,4-difluorophenyl)-2,2-dimethyl-3-oxopropanamide
CID 108961299
N-(3,4-dichlorophenyl)-N'-(4-fluorophenyl)-2,2-dimethylpropanediamide
CID 108968831
2-[[2-(2,4-difluoroanilino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253283
N'-(2,4-difluorophenyl)-N-(4-fluorophenyl)butanediamide
CID 670678
N'-(2-fluorophenyl)-2,2-dimethyl-N-phenylpropanediamide
CID 108967144
N,N'-bis(3,4-difluorophenyl)-2,2-dimethylpropanediamide
CID 108970184
N-(3,4-difluorophenyl)-2,2-dimethyl-N'-(2,3,4-trifluorophenyl)propanediamide
CID 108970179

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-N'-(4-fluorophenyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-(2,4-difluorophenyl)-N'-(4-fluorophenyl)-2,2-dimethylpropanediamide (CID 108968827) is N-(2,4-difluorophenyl)-N'-(4-fluorophenyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-N'-(4-fluorophenyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-(2,4-difluorophenyl)-N'-(4-fluorophenyl)-2,2-dimethylpropanediamide is CC(C)(C(=O)Nc1ccc(F)cc1)C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-N'-(4-fluorophenyl)-2,2-dimethylpropanediamide?
The InChIKey is BBWZLLUHTRFJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O2/c1-17(2,15(23)21-12-6-3-10(18)4-7-12)16(24)22-14-8-5-11(19)9-13(14)20/h3-9H,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-(2,4-difluorophenyl)-N'-(4-fluorophenyl)-2,2-dimethylpropanediamide?
N-(2,4-difluorophenyl)-N'-(4-fluorophenyl)-2,2-dimethylpropanediamide has a molecular weight of 336.31 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-N'-(4-fluorophenyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108968827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).