N-hydroxy-8-oxo-8-[4-(trifluoromethyl)phenyl]octanamide

C15H18F3NO3 — CID 11001628

IUPACN-hydroxy-8-oxo-8-[4-(trifluoromethyl)phenyl]octanamide
SMILESO=C(CCCCCCC(=O)c1ccc(C(F)(F)F)cc1)NO
InChIInChI=1S/C15H18F3NO3/c16-15(17,18)12-9-7-11(8-10-12)13(20)5-3-1-2-4-6-14(21)19-22/h7-10,22H,1-6H2,(H,19,21)
InChIKeyFSBDCAXDYWVYAY-UHFFFAOYSA-N
MW317.31 g/mol
LogP3.73
Rot. Bonds8

About N-hydroxy-8-oxo-8-[4-(trifluoromethyl)phenyl]octanamide

N-hydroxy-8-oxo-8-[4-(trifluoromethyl)phenyl]octanamide (PubChem CID 11001628) has the molecular formula C15H18F3NO3 and a molecular weight of 317.31 g/mol. Its IUPAC name is N-hydroxy-8-oxo-8-[4-(trifluoromethyl)phenyl]octanamide.

Molecular Properties

Compound NameN-hydroxy-8-oxo-8-[4-(trifluoromethyl)phenyl]octanamide
PubChem CID11001628
Molecular FormulaC15H18F3NO3
Molecular Weight317.31 g/mol
Exact Mass317.12
IUPAC NameN-hydroxy-8-oxo-8-[4-(trifluoromethyl)phenyl]octanamide
SMILESO=C(CCCCCCC(=O)c1ccc(C(F)(F)F)cc1)NO
InChIInChI=1S/C15H18F3NO3/c16-15(17,18)12-9-7-11(8-10-12)13(20)5-3-1-2-4-6-14(21)19-22/h7-10,22H,1-6H2,(H,19,21)
InChIKeyFSBDCAXDYWVYAY-UHFFFAOYSA-N
XLogP3.73
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-8-oxo-8-[4-(trifluoromethyl)phenyl]octanamide?
The IUPAC name of N-hydroxy-8-oxo-8-[4-(trifluoromethyl)phenyl]octanamide (CID 11001628) is N-hydroxy-8-oxo-8-[4-(trifluoromethyl)phenyl]octanamide.
What is the SMILES notation for N-hydroxy-8-oxo-8-[4-(trifluoromethyl)phenyl]octanamide?
The canonical SMILES for N-hydroxy-8-oxo-8-[4-(trifluoromethyl)phenyl]octanamide is O=C(CCCCCCC(=O)c1ccc(C(F)(F)F)cc1)NO.
What is the InChIKey of N-hydroxy-8-oxo-8-[4-(trifluoromethyl)phenyl]octanamide?
The InChIKey is FSBDCAXDYWVYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO3/c16-15(17,18)12-9-7-11(8-10-12)13(20)5-3-1-2-4-6-14(21)19-22/h7-10,22H,1-6H2,(H,19,21).
What are the key properties of N-hydroxy-8-oxo-8-[4-(trifluoromethyl)phenyl]octanamide?
N-hydroxy-8-oxo-8-[4-(trifluoromethyl)phenyl]octanamide has a molecular weight of 317.31 g/mol, XLogP of 3.73, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-8-oxo-8-[4-(trifluoromethyl)phenyl]octanamide is sourced from PubChem (CID 11001628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).