2,2,3,3,4,4,4-heptafluoro-N-[2-[N-(2,2,3,3,4,4,4-heptafluorobutanoyl)anilino]phenyl]butanamide

C20H10F14N2O2 — CID 91744876

IUPAC2,2,3,3,4,4,4-heptafluoro-N-[2-[N-(2,2,3,3,4,4,4-heptafluorobutanoyl)anilino]phenyl]butanamide
SMILESO=C(Nc1ccccc1N(C(=O)C(F)(F)C(F)(F)C(F)(F)F)c1ccccc1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C20H10F14N2O2/c21-15(22,17(25,26)19(29,30)31)13(37)35-11-8-4-5-9-12(11)36(10-6-2-1-3-7-10)14(38)16(23,24)18(27,28)20(32,33)34/h1-9H,(H,35,37)
InChIKeyCSTBRJHVTBOTBH-UHFFFAOYSA-N
MW576.28 g/mol
LogP6.96
Rot. Bonds7

About 2,2,3,3,4,4,4-heptafluoro-N-[2-[N-(2,2,3,3,4,4,4-heptafluorobutanoyl)anilino]phenyl]butanamide

2,2,3,3,4,4,4-heptafluoro-N-[2-[N-(2,2,3,3,4,4,4-heptafluorobutanoyl)anilino]phenyl]butanamide (PubChem CID 91744876) has the molecular formula C20H10F14N2O2 and a molecular weight of 576.28 g/mol. Its IUPAC name is 2,2,3,3,4,4,4-heptafluoro-N-[2-[N-(2,2,3,3,4,4,4-heptafluorobutanoyl)anilino]phenyl]butanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,4-heptafluoro-N-[2-[N-(2,2,3,3,4,4,4-heptafluorobutanoyl)anilino]phenyl]butanamide
PubChem CID91744876
Molecular FormulaC20H10F14N2O2
Molecular Weight576.28 g/mol
Exact Mass576.05
IUPAC Name2,2,3,3,4,4,4-heptafluoro-N-[2-[N-(2,2,3,3,4,4,4-heptafluorobutanoyl)anilino]phenyl]butanamide
SMILESO=C(Nc1ccccc1N(C(=O)C(F)(F)C(F)(F)C(F)(F)F)c1ccccc1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C20H10F14N2O2/c21-15(22,17(25,26)19(29,30)31)13(37)35-11-8-4-5-9-12(11)36(10-6-2-1-3-7-10)14(38)16(23,24)18(27,28)20(32,33)34/h1-9H,(H,35,37)
InChIKeyCSTBRJHVTBOTBH-UHFFFAOYSA-N
XLogP6.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.28
LogP ≤ 56.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-[2-[N-(2,2,3,3,4,4,4-heptafluorobutanoyl)anilino]phenyl]butanamide?
The IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-[2-[N-(2,2,3,3,4,4,4-heptafluorobutanoyl)anilino]phenyl]butanamide (CID 91744876) is 2,2,3,3,4,4,4-heptafluoro-N-[2-[N-(2,2,3,3,4,4,4-heptafluorobutanoyl)anilino]phenyl]butanamide.
What is the SMILES notation for 2,2,3,3,4,4,4-heptafluoro-N-[2-[N-(2,2,3,3,4,4,4-heptafluorobutanoyl)anilino]phenyl]butanamide?
The canonical SMILES for 2,2,3,3,4,4,4-heptafluoro-N-[2-[N-(2,2,3,3,4,4,4-heptafluorobutanoyl)anilino]phenyl]butanamide is O=C(Nc1ccccc1N(C(=O)C(F)(F)C(F)(F)C(F)(F)F)c1ccccc1)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,4-heptafluoro-N-[2-[N-(2,2,3,3,4,4,4-heptafluorobutanoyl)anilino]phenyl]butanamide?
The InChIKey is CSTBRJHVTBOTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10F14N2O2/c21-15(22,17(25,26)19(29,30)31)13(37)35-11-8-4-5-9-12(11)36(10-6-2-1-3-7-10)14(38)16(23,24)18(27,28)20(32,33)34/h1-9H,(H,35,37).
What are the key properties of 2,2,3,3,4,4,4-heptafluoro-N-[2-[N-(2,2,3,3,4,4,4-heptafluorobutanoyl)anilino]phenyl]butanamide?
2,2,3,3,4,4,4-heptafluoro-N-[2-[N-(2,2,3,3,4,4,4-heptafluorobutanoyl)anilino]phenyl]butanamide has a molecular weight of 576.28 g/mol, XLogP of 6.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,4-heptafluoro-N-[2-[N-(2,2,3,3,4,4,4-heptafluorobutanoyl)anilino]phenyl]butanamide is sourced from PubChem (CID 91744876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).