N-(3,4-difluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]-2,2-dimethylpropanediamide

C19H19F3N2O2 — CID 108964253

IUPACN-(3,4-difluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)NCCc1ccc(F)cc1)C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C19H19F3N2O2/c1-19(2,18(26)24-14-7-8-15(21)16(22)11-14)17(25)23-10-9-12-3-5-13(20)6-4-12/h3-8,11H,9-10H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyQCCPDBQMBZKPHZ-UHFFFAOYSA-N
MW364.37 g/mol
LogP3.43
Rot. Bonds6

About N-(3,4-difluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]-2,2-dimethylpropanediamide

N-(3,4-difluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]-2,2-dimethylpropanediamide (PubChem CID 108964253) has the molecular formula C19H19F3N2O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]-2,2-dimethylpropanediamide
PubChem CID108964253
Molecular FormulaC19H19F3N2O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC NameN-(3,4-difluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)NCCc1ccc(F)cc1)C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C19H19F3N2O2/c1-19(2,18(26)24-14-7-8-15(21)16(22)11-14)17(25)23-10-9-12-3-5-13(20)6-4-12/h3-8,11H,9-10H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyQCCPDBQMBZKPHZ-UHFFFAOYSA-N
XLogP3.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 53.43
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-[2-(4-fluorophenyl)ethyl]-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108964178
N-(3-acetylphenyl)-N'-[2-(4-fluorophenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964225
N,N'-bis(3,4-difluorophenyl)-2,2-dimethylpropanediamide
CID 108970184
methyl 4-[[3-[2-(4-fluorophenyl)ethylamino]-2,2-dimethyl-3-oxopropanoyl]amino]benzoate
CID 108964231
N-(3-cyanophenyl)-N'-[2-(4-fluorophenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964248
N-[2-(4-chlorophenyl)ethyl]-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide
CID 108965059
N-(3,4-difluorophenyl)-N'-(3,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967993
N-[2-(4-chlorophenyl)ethyl]-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108965075
N-(3,4-difluorophenyl)-2,2-dimethyl-N'-(4-methylphenyl)propanediamide
CID 108967527
N-(3-chloro-4-methylphenyl)-N'-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964469
N-[2-(4-chlorophenyl)ethyl]-N'-(2-fluorophenyl)-2,2-dimethylpropanediamide
CID 108965063
N-[2-(4-fluorophenyl)ethyl]-2,2-dimethylbutanamide
CID 132962553

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]-2,2-dimethylpropanediamide?
The IUPAC name of N-(3,4-difluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]-2,2-dimethylpropanediamide (CID 108964253) is N-(3,4-difluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]-2,2-dimethylpropanediamide?
The canonical SMILES for N-(3,4-difluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]-2,2-dimethylpropanediamide is CC(C)(C(=O)NCCc1ccc(F)cc1)C(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]-2,2-dimethylpropanediamide?
The InChIKey is QCCPDBQMBZKPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O2/c1-19(2,18(26)24-14-7-8-15(21)16(22)11-14)17(25)23-10-9-12-3-5-13(20)6-4-12/h3-8,11H,9-10H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-(3,4-difluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]-2,2-dimethylpropanediamide?
N-(3,4-difluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]-2,2-dimethylpropanediamide has a molecular weight of 364.37 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]-2,2-dimethylpropanediamide is sourced from PubChem (CID 108964253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).