N-hydroxy-8-oxo-7-[[4-(trifluoromethyl)phenyl]methoxy]octanamide

C16H20F3NO4 — CID 145473798

IUPACN-hydroxy-8-oxo-7-[[4-(trifluoromethyl)phenyl]methoxy]octanamide
SMILESO=CC(CCCCCC(=O)NO)OCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H20F3NO4/c17-16(18,19)13-8-6-12(7-9-13)11-24-14(10-21)4-2-1-3-5-15(22)20-23/h6-10,14,23H,1-5,11H2,(H,20,22)
InChIKeyPOJXMLWNQDAYHW-UHFFFAOYSA-N
MW347.33 g/mol
LogP3.25
Rot. Bonds10

About N-hydroxy-8-oxo-7-[[4-(trifluoromethyl)phenyl]methoxy]octanamide

N-hydroxy-8-oxo-7-[[4-(trifluoromethyl)phenyl]methoxy]octanamide (PubChem CID 145473798) has the molecular formula C16H20F3NO4 and a molecular weight of 347.33 g/mol. Its IUPAC name is N-hydroxy-8-oxo-7-[[4-(trifluoromethyl)phenyl]methoxy]octanamide.

Molecular Properties

Compound NameN-hydroxy-8-oxo-7-[[4-(trifluoromethyl)phenyl]methoxy]octanamide
PubChem CID145473798
Molecular FormulaC16H20F3NO4
Molecular Weight347.33 g/mol
Exact Mass347.13
IUPAC NameN-hydroxy-8-oxo-7-[[4-(trifluoromethyl)phenyl]methoxy]octanamide
SMILESO=CC(CCCCCC(=O)NO)OCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H20F3NO4/c17-16(18,19)13-8-6-12(7-9-13)11-24-14(10-21)4-2-1-3-5-15(22)20-23/h6-10,14,23H,1-5,11H2,(H,20,22)
InChIKeyPOJXMLWNQDAYHW-UHFFFAOYSA-N
XLogP3.25
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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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Related Compounds

[(1S)-2-amino-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl] acetate
CID 134917967
N-hydroxy-4-oxo-3-(2,2,2-trifluoro-1-phenylethoxy)butanamide
CID 20571153
2-Phenyl-2-(trifluoromethoxy)acetamide
CID 21196846
N-hydroxy-2-(2,2,2-trifluoro-1-phenylethoxy)butanamide
CID 54055046
4-(4-fluorophenyl)-N-hydroxy-4-phenylmethoxybutanamide
CID 59568789
4-ethoxy-4-(4-fluorophenyl)-N-hydroxybutanamide
CID 59568815
4-(3-fluoro-4-methylphenyl)-N-hydroxy-4-methoxybutanamide
CID 59568817
N-hydroxy-4-methoxy-4-[4-(trifluoromethyl)phenyl]butanamide
CID 59568873
2-Phenyl-2-(2,2,2-trifluoroethoxy)acetamide
CID 68137814
2-Phenyl-2-(1,2,2,2-tetrafluoroethoxy)acetamide
CID 68531753
2-Phenyl-2-(1,1,2,2-tetrafluoroethoxy)acetamide
CID 87486476
N-hydroxy-2-oxo-3-(2,2,2-trifluoro-1-phenylethoxy)pentanamide
CID 140333047

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-8-oxo-7-[[4-(trifluoromethyl)phenyl]methoxy]octanamide?
The IUPAC name of N-hydroxy-8-oxo-7-[[4-(trifluoromethyl)phenyl]methoxy]octanamide (CID 145473798) is N-hydroxy-8-oxo-7-[[4-(trifluoromethyl)phenyl]methoxy]octanamide.
What is the SMILES notation for N-hydroxy-8-oxo-7-[[4-(trifluoromethyl)phenyl]methoxy]octanamide?
The canonical SMILES for N-hydroxy-8-oxo-7-[[4-(trifluoromethyl)phenyl]methoxy]octanamide is O=CC(CCCCCC(=O)NO)OCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-hydroxy-8-oxo-7-[[4-(trifluoromethyl)phenyl]methoxy]octanamide?
The InChIKey is POJXMLWNQDAYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO4/c17-16(18,19)13-8-6-12(7-9-13)11-24-14(10-21)4-2-1-3-5-15(22)20-23/h6-10,14,23H,1-5,11H2,(H,20,22).
What are the key properties of N-hydroxy-8-oxo-7-[[4-(trifluoromethyl)phenyl]methoxy]octanamide?
N-hydroxy-8-oxo-7-[[4-(trifluoromethyl)phenyl]methoxy]octanamide has a molecular weight of 347.33 g/mol, XLogP of 3.25, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-8-oxo-7-[[4-(trifluoromethyl)phenyl]methoxy]octanamide is sourced from PubChem (CID 145473798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).