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

C22H27F3N2O4 — CID 145473797

IUPACaniline;N-hydroxy-8-oxo-7-[[4-(trifluoromethyl)phenyl]methoxy]octanamide
SMILESNc1ccccc1.O=CC(CCCCCC(=O)NO)OCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H20F3NO4.C6H7N/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;7-6-4-2-1-3-5-6/h6-10,14,23H,1-5,11H2,(H,20,22);1-5H,7H2
InChIKeyWMFTZXRPWAWFNE-UHFFFAOYSA-N
MW440.46 g/mol
LogP4.51
Rot. Bonds10

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

aniline;N-hydroxy-8-oxo-7-[[4-(trifluoromethyl)phenyl]methoxy]octanamide (PubChem CID 145473797) has the molecular formula C22H27F3N2O4 and a molecular weight of 440.46 g/mol. Its IUPAC name is aniline;N-hydroxy-8-oxo-7-[[4-(trifluoromethyl)phenyl]methoxy]octanamide.

Molecular Properties

Compound Nameaniline;N-hydroxy-8-oxo-7-[[4-(trifluoromethyl)phenyl]methoxy]octanamide
PubChem CID145473797
Molecular FormulaC22H27F3N2O4
Molecular Weight440.46 g/mol
Exact Mass440.19
IUPAC Nameaniline;N-hydroxy-8-oxo-7-[[4-(trifluoromethyl)phenyl]methoxy]octanamide
SMILESNc1ccccc1.O=CC(CCCCCC(=O)NO)OCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H20F3NO4.C6H7N/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;7-6-4-2-1-3-5-6/h6-10,14,23H,1-5,11H2,(H,20,22);1-5H,7H2
InChIKeyWMFTZXRPWAWFNE-UHFFFAOYSA-N
XLogP4.51
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.46
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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 aniline;N-hydroxy-8-oxo-7-[[4-(trifluoromethyl)phenyl]methoxy]octanamide?
The IUPAC name of aniline;N-hydroxy-8-oxo-7-[[4-(trifluoromethyl)phenyl]methoxy]octanamide (CID 145473797) is aniline;N-hydroxy-8-oxo-7-[[4-(trifluoromethyl)phenyl]methoxy]octanamide.
What is the SMILES notation for aniline;N-hydroxy-8-oxo-7-[[4-(trifluoromethyl)phenyl]methoxy]octanamide?
The canonical SMILES for aniline;N-hydroxy-8-oxo-7-[[4-(trifluoromethyl)phenyl]methoxy]octanamide is Nc1ccccc1.O=CC(CCCCCC(=O)NO)OCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of aniline;N-hydroxy-8-oxo-7-[[4-(trifluoromethyl)phenyl]methoxy]octanamide?
The InChIKey is WMFTZXRPWAWFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO4.C6H7N/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;7-6-4-2-1-3-5-6/h6-10,14,23H,1-5,11H2,(H,20,22);1-5H,7H2.
What are the key properties of aniline;N-hydroxy-8-oxo-7-[[4-(trifluoromethyl)phenyl]methoxy]octanamide?
aniline;N-hydroxy-8-oxo-7-[[4-(trifluoromethyl)phenyl]methoxy]octanamide has a molecular weight of 440.46 g/mol, XLogP of 4.51, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;N-hydroxy-8-oxo-7-[[4-(trifluoromethyl)phenyl]methoxy]octanamide is sourced from PubChem (CID 145473797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).