N,N'-bis(2-ethylphenyl)-2,2,3,3,4,4,5,5-octafluorohexanediamide

C22H20F8N2O2 — CID 5203478

IUPACN,N'-bis(2-ethylphenyl)-2,2,3,3,4,4,5,5-octafluorohexanediamide
SMILESCCc1ccccc1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccccc1CC
InChIInChI=1S/C22H20F8N2O2/c1-3-13-9-5-7-11-15(13)31-17(33)19(23,24)21(27,28)22(29,30)20(25,26)18(34)32-16-12-8-6-10-14(16)4-2/h5-12H,3-4H2,1-2H3,(H,31,33)(H,32,34)
InChIKeyKNAPBFKKHWGADC-UHFFFAOYSA-N
MW496.40 g/mol
LogP5.93
Rot. Bonds9

About N,N'-bis(2-ethylphenyl)-2,2,3,3,4,4,5,5-octafluorohexanediamide

N,N'-bis(2-ethylphenyl)-2,2,3,3,4,4,5,5-octafluorohexanediamide (PubChem CID 5203478) has the molecular formula C22H20F8N2O2 and a molecular weight of 496.40 g/mol. Its IUPAC name is N,N'-bis(2-ethylphenyl)-2,2,3,3,4,4,5,5-octafluorohexanediamide.

Molecular Properties

Compound NameN,N'-bis(2-ethylphenyl)-2,2,3,3,4,4,5,5-octafluorohexanediamide
PubChem CID5203478
Molecular FormulaC22H20F8N2O2
Molecular Weight496.40 g/mol
Exact Mass496.14
IUPAC NameN,N'-bis(2-ethylphenyl)-2,2,3,3,4,4,5,5-octafluorohexanediamide
SMILESCCc1ccccc1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccccc1CC
InChIInChI=1S/C22H20F8N2O2/c1-3-13-9-5-7-11-15(13)31-17(33)19(23,24)21(27,28)22(29,30)20(25,26)18(34)32-16-12-8-6-10-14(16)4-2/h5-12H,3-4H2,1-2H3,(H,31,33)(H,32,34)
InChIKeyKNAPBFKKHWGADC-UHFFFAOYSA-N
XLogP5.93
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.40
LogP ≤ 55.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(2-ethylphenyl)-2,2-dimethylpropanediamide
CID 108968190
2,2,3,3,4,4,5,5,5-nonafluoro-N-[2-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)phenyl]pentanamide
CID 4077005
N-(2-ethylphenyl)-2-methylprop-2-enamide
CID 54544779
N-(2-ethylphenyl)-2-methyl-2-phenylpropanamide
CID 8839434
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(2-hydroxyphenyl)heptanamide
CID 4292897
N-(2-acetamidophenyl)-2,2,3,3,4,4,4-heptafluorobutanamide
CID 167946081
N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876
N'-(2-ethylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
CID 44998950
2-(2-ethylanilino)-2-oxoacetyl chloride
CID 87858291
N-(2-ethoxyphenyl)-2,2,3,3,4,4,4-heptafluorobutanamide
CID 4608995
ethyl 2-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoylamino)benzoate
CID 5086660
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(2-fluorophenyl)heptanamide
CID 3121130

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2-ethylphenyl)-2,2,3,3,4,4,5,5-octafluorohexanediamide?
The IUPAC name of N,N'-bis(2-ethylphenyl)-2,2,3,3,4,4,5,5-octafluorohexanediamide (CID 5203478) is N,N'-bis(2-ethylphenyl)-2,2,3,3,4,4,5,5-octafluorohexanediamide.
What is the SMILES notation for N,N'-bis(2-ethylphenyl)-2,2,3,3,4,4,5,5-octafluorohexanediamide?
The canonical SMILES for N,N'-bis(2-ethylphenyl)-2,2,3,3,4,4,5,5-octafluorohexanediamide is CCc1ccccc1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccccc1CC.
What is the InChIKey of N,N'-bis(2-ethylphenyl)-2,2,3,3,4,4,5,5-octafluorohexanediamide?
The InChIKey is KNAPBFKKHWGADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F8N2O2/c1-3-13-9-5-7-11-15(13)31-17(33)19(23,24)21(27,28)22(29,30)20(25,26)18(34)32-16-12-8-6-10-14(16)4-2/h5-12H,3-4H2,1-2H3,(H,31,33)(H,32,34).
What are the key properties of N,N'-bis(2-ethylphenyl)-2,2,3,3,4,4,5,5-octafluorohexanediamide?
N,N'-bis(2-ethylphenyl)-2,2,3,3,4,4,5,5-octafluorohexanediamide has a molecular weight of 496.40 g/mol, XLogP of 5.93, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2-ethylphenyl)-2,2,3,3,4,4,5,5-octafluorohexanediamide is sourced from PubChem (CID 5203478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).