N'-hydroxy-N-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]octanediamide

C22H25F3N2O4 — CID 25065932

IUPACN'-hydroxy-N-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]octanediamide
SMILESO=C(CCCCCC(OCc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccccc1)NO
InChIInChI=1S/C22H25F3N2O4/c23-22(24,25)17-13-11-16(12-14-17)15-31-19(9-5-2-6-10-20(28)27-30)21(29)26-18-7-3-1-4-8-18/h1,3-4,7-8,11-14,19,30H,2,5-6,9-10,15H2,(H,26,29)(H,27,28)
InChIKeyCBIANVGXIGULEA-UHFFFAOYSA-N
MW438.45 g/mol
LogP4.69
Rot. Bonds11

About N'-hydroxy-N-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]octanediamide

N'-hydroxy-N-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]octanediamide (PubChem CID 25065932) has the molecular formula C22H25F3N2O4 and a molecular weight of 438.45 g/mol. Its IUPAC name is N'-hydroxy-N-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]octanediamide.

Molecular Properties

Compound NameN'-hydroxy-N-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]octanediamide
PubChem CID25065932
Molecular FormulaC22H25F3N2O4
Molecular Weight438.45 g/mol
Exact Mass438.18
IUPAC NameN'-hydroxy-N-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]octanediamide
SMILESO=C(CCCCCC(OCc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccccc1)NO
InChIInChI=1S/C22H25F3N2O4/c23-22(24,25)17-13-11-16(12-14-17)15-31-19(9-5-2-6-10-20(28)27-30)21(29)26-18-7-3-1-4-8-18/h1,3-4,7-8,11-14,19,30H,2,5-6,9-10,15H2,(H,26,29)(H,27,28)
InChIKeyCBIANVGXIGULEA-UHFFFAOYSA-N
XLogP4.69
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.45
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]octanediamide?
The IUPAC name of N'-hydroxy-N-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]octanediamide (CID 25065932) is N'-hydroxy-N-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]octanediamide.
What is the SMILES notation for N'-hydroxy-N-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]octanediamide?
The canonical SMILES for N'-hydroxy-N-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]octanediamide is O=C(CCCCCC(OCc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccccc1)NO.
What is the InChIKey of N'-hydroxy-N-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]octanediamide?
The InChIKey is CBIANVGXIGULEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N2O4/c23-22(24,25)17-13-11-16(12-14-17)15-31-19(9-5-2-6-10-20(28)27-30)21(29)26-18-7-3-1-4-8-18/h1,3-4,7-8,11-14,19,30H,2,5-6,9-10,15H2,(H,26,29)(H,27,28).
What are the key properties of N'-hydroxy-N-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]octanediamide?
N'-hydroxy-N-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]octanediamide has a molecular weight of 438.45 g/mol, XLogP of 4.69, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]octanediamide is sourced from PubChem (CID 25065932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).