N'-hydroxy-N-[3-(trifluoromethyl)phenyl]octanediamide

C15H19F3N2O3 — CID 46205433

IUPACN'-hydroxy-N-[3-(trifluoromethyl)phenyl]octanediamide
SMILESO=C(CCCCCCC(=O)Nc1cccc(C(F)(F)F)c1)NO
InChIInChI=1S/C15H19F3N2O3/c16-15(17,18)11-6-5-7-12(10-11)19-13(21)8-3-1-2-4-9-14(22)20-23/h5-7,10,23H,1-4,8-9H2,(H,19,21)(H,20,22)
InChIKeyZOPUASBAPJLYBB-UHFFFAOYSA-N
MW332.32 g/mol
LogP3.49
Rot. Bonds8

About N'-hydroxy-N-[3-(trifluoromethyl)phenyl]octanediamide

N'-hydroxy-N-[3-(trifluoromethyl)phenyl]octanediamide (PubChem CID 46205433) has the molecular formula C15H19F3N2O3 and a molecular weight of 332.32 g/mol. Its IUPAC name is N'-hydroxy-N-[3-(trifluoromethyl)phenyl]octanediamide.

Molecular Properties

Compound NameN'-hydroxy-N-[3-(trifluoromethyl)phenyl]octanediamide
PubChem CID46205433
Molecular FormulaC15H19F3N2O3
Molecular Weight332.32 g/mol
Exact Mass332.13
IUPAC NameN'-hydroxy-N-[3-(trifluoromethyl)phenyl]octanediamide
SMILESO=C(CCCCCCC(=O)Nc1cccc(C(F)(F)F)c1)NO
InChIInChI=1S/C15H19F3N2O3/c16-15(17,18)11-6-5-7-12(10-11)19-13(21)8-3-1-2-4-9-14(22)20-23/h5-7,10,23H,1-4,8-9H2,(H,19,21)(H,20,22)
InChIKeyZOPUASBAPJLYBB-UHFFFAOYSA-N
XLogP3.49
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 53.49
H-Bond Donors ≤ 53
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-N-[3-(trifluoromethyl)phenyl]octanediamide?
The IUPAC name of N'-hydroxy-N-[3-(trifluoromethyl)phenyl]octanediamide (CID 46205433) is N'-hydroxy-N-[3-(trifluoromethyl)phenyl]octanediamide.
What is the SMILES notation for N'-hydroxy-N-[3-(trifluoromethyl)phenyl]octanediamide?
The canonical SMILES for N'-hydroxy-N-[3-(trifluoromethyl)phenyl]octanediamide is O=C(CCCCCCC(=O)Nc1cccc(C(F)(F)F)c1)NO.
What is the InChIKey of N'-hydroxy-N-[3-(trifluoromethyl)phenyl]octanediamide?
The InChIKey is ZOPUASBAPJLYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O3/c16-15(17,18)11-6-5-7-12(10-11)19-13(21)8-3-1-2-4-9-14(22)20-23/h5-7,10,23H,1-4,8-9H2,(H,19,21)(H,20,22).
What are the key properties of N'-hydroxy-N-[3-(trifluoromethyl)phenyl]octanediamide?
N'-hydroxy-N-[3-(trifluoromethyl)phenyl]octanediamide has a molecular weight of 332.32 g/mol, XLogP of 3.49, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N-[3-(trifluoromethyl)phenyl]octanediamide is sourced from PubChem (CID 46205433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).