N,N'-bis(3,4-difluorophenyl)-2,2-dimethylpropanediamide

C17H14F4N2O2 — CID 108970184

IUPACN,N'-bis(3,4-difluorophenyl)-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)Nc1ccc(F)c(F)c1)C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C17H14F4N2O2/c1-17(2,15(24)22-9-3-5-11(18)13(20)7-9)16(25)23-10-4-6-12(19)14(21)8-10/h3-8H,1-2H3,(H,22,24)(H,23,25)
InChIKeyWCJXYEAOUCKFMQ-UHFFFAOYSA-N
MW354.30 g/mol
LogP3.85
Rot. Bonds4

About N,N'-bis(3,4-difluorophenyl)-2,2-dimethylpropanediamide

N,N'-bis(3,4-difluorophenyl)-2,2-dimethylpropanediamide (PubChem CID 108970184) has the molecular formula C17H14F4N2O2 and a molecular weight of 354.30 g/mol. Its IUPAC name is N,N'-bis(3,4-difluorophenyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN,N'-bis(3,4-difluorophenyl)-2,2-dimethylpropanediamide
PubChem CID108970184
Molecular FormulaC17H14F4N2O2
Molecular Weight354.30 g/mol
Exact Mass354.10
IUPAC NameN,N'-bis(3,4-difluorophenyl)-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)Nc1ccc(F)c(F)c1)C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C17H14F4N2O2/c1-17(2,15(24)22-9-3-5-11(18)13(20)7-9)16(25)23-10-4-6-12(19)14(21)8-10/h3-8H,1-2H3,(H,22,24)(H,23,25)
InChIKeyWCJXYEAOUCKFMQ-UHFFFAOYSA-N
XLogP3.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.30
LogP ≤ 53.85
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-(3,4-difluorophenyl)-2,2-dimethyl-N'-(4-methylphenyl)propanediamide
CID 108967527
N-(3,4-difluorophenyl)-N'-(3,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967993
N-(3,4-difluorophenyl)-2,2-dimethyl-N'-(2,3,4-trifluorophenyl)propanediamide
CID 108970179
N-(3,4-difluorophenyl)-N'-(2,6-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108968124
N-(2-tert-butylphenyl)-N'-(3,4-difluorophenyl)-2,2-dimethylpropanediamide
CID 108968655
N-(3,4-difluorophenyl)-2,2-dimethyl-N'-(1-phenylethyl)propanediamide
CID 108962236
N-(3,4-difluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964253
N,N'-bis(3,4-difluorophenyl)-2,2,3,3,4,4,5,5-octafluorohexanediamide
CID 3369312
1-tert-butyl-3-(3,4-difluorophenyl)urea
CID 78786872
N-(3,4-difluorophenyl)-3,3-dimethylbutanamide
CID 842282
3-(4-bromo-3-fluoroanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 82821308
N,N'-bis(3,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967928

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(3,4-difluorophenyl)-2,2-dimethylpropanediamide?
The IUPAC name of N,N'-bis(3,4-difluorophenyl)-2,2-dimethylpropanediamide (CID 108970184) is N,N'-bis(3,4-difluorophenyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N,N'-bis(3,4-difluorophenyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N,N'-bis(3,4-difluorophenyl)-2,2-dimethylpropanediamide is CC(C)(C(=O)Nc1ccc(F)c(F)c1)C(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of N,N'-bis(3,4-difluorophenyl)-2,2-dimethylpropanediamide?
The InChIKey is WCJXYEAOUCKFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F4N2O2/c1-17(2,15(24)22-9-3-5-11(18)13(20)7-9)16(25)23-10-4-6-12(19)14(21)8-10/h3-8H,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N,N'-bis(3,4-difluorophenyl)-2,2-dimethylpropanediamide?
N,N'-bis(3,4-difluorophenyl)-2,2-dimethylpropanediamide has a molecular weight of 354.30 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(3,4-difluorophenyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108970184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).