2,2,3,3,4,4,5,5,5-nonafluoro-N-[2-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)phenyl]pentanamide

C16H6F18N2O2 — CID 4077005

IUPAC2,2,3,3,4,4,5,5,5-nonafluoro-N-[2-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)phenyl]pentanamide
SMILESO=C(Nc1ccccc1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C16H6F18N2O2/c17-9(18,11(21,22)13(25,26)15(29,30)31)7(37)35-5-3-1-2-4-6(5)36-8(38)10(19,20)12(23,24)14(27,28)16(32,33)34/h1-4H,(H,35,37)(H,36,38)
InChIKeyZVYRAOBPZVMUGM-UHFFFAOYSA-N
MW600.20 g/mol
LogP6.50
Rot. Bonds8

About 2,2,3,3,4,4,5,5,5-nonafluoro-N-[2-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)phenyl]pentanamide

2,2,3,3,4,4,5,5,5-nonafluoro-N-[2-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)phenyl]pentanamide (PubChem CID 4077005) has the molecular formula C16H6F18N2O2 and a molecular weight of 600.20 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,5-nonafluoro-N-[2-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)phenyl]pentanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,5-nonafluoro-N-[2-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)phenyl]pentanamide
PubChem CID4077005
Molecular FormulaC16H6F18N2O2
Molecular Weight600.20 g/mol
Exact Mass600.01
IUPAC Name2,2,3,3,4,4,5,5,5-nonafluoro-N-[2-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)phenyl]pentanamide
SMILESO=C(Nc1ccccc1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C16H6F18N2O2/c17-9(18,11(21,22)13(25,26)15(29,30)31)7(37)35-5-3-1-2-4-6(5)36-8(38)10(19,20)12(23,24)14(27,28)16(32,33)34/h1-4H,(H,35,37)(H,36,38)
InChIKeyZVYRAOBPZVMUGM-UHFFFAOYSA-N
XLogP6.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.20
LogP ≤ 56.50
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

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N-(2-acetamidophenyl)-2,2,3,3,4,4,4-heptafluorobutanamide
CID 167946081
2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(2-fluorophenyl)hexanediamide
CID 4123319
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-phenylnonanamide
CID 3421010
N,N'-bis(2-ethylphenyl)-2,2,3,3,4,4,5,5-octafluorohexanediamide
CID 5203478
ethyl 2-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoylamino)benzoate
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2,2,3,3,4,4,4-heptafluoro-N-[2-(3-phenylpropanoylamino)phenyl]butanamide
CID 177391846
S-[2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)phenyl] 2,2,3,3,4,4,4-heptafluorobutanethioate
CID 91721170
2,2,3,3,4,4,4-heptafluoro-N-phenylbutanamide
CID 9556
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-quinolin-8-yloctanamide
CID 15164362
N-(2,5-dihydroxyphenyl)-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide
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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,5-nonafluoro-N-[2-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)phenyl]pentanamide?
The IUPAC name of 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) is 2,2,3,3,4,4,5,5,5-nonafluoro-N-[2-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)phenyl]pentanamide.
What is the SMILES notation for 2,2,3,3,4,4,5,5,5-nonafluoro-N-[2-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)phenyl]pentanamide?
The canonical SMILES for 2,2,3,3,4,4,5,5,5-nonafluoro-N-[2-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)phenyl]pentanamide is O=C(Nc1ccccc1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,5-nonafluoro-N-[2-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)phenyl]pentanamide?
The InChIKey is ZVYRAOBPZVMUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H6F18N2O2/c17-9(18,11(21,22)13(25,26)15(29,30)31)7(37)35-5-3-1-2-4-6(5)36-8(38)10(19,20)12(23,24)14(27,28)16(32,33)34/h1-4H,(H,35,37)(H,36,38).
What are the key properties of 2,2,3,3,4,4,5,5,5-nonafluoro-N-[2-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)phenyl]pentanamide?
2,2,3,3,4,4,5,5,5-nonafluoro-N-[2-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)phenyl]pentanamide has a molecular weight of 600.20 g/mol, XLogP of 6.50, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,5-nonafluoro-N-[2-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)phenyl]pentanamide is sourced from PubChem (CID 4077005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).