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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(benzyloxy)-N7-hydroxy-N1-phenylheptanediamide
CID 25065925
[2-(2,4-Difluoroanilino)-2-oxoethyl] 4-formylbenzoate
CID 2437621
N-(2,4-difluorophenyl)-2-methoxy-2-phenylacetamide
CID 2930312
2-[(4-bromophenyl)methoxy]-N'-hydroxy-N-phenyloctanediamide
CID 25066135
N'-hydroxy-2-[(4-methylphenyl)methoxy]-N-phenyloctanediamide
CID 25066136
N'-hydroxy-2-[(3-methoxyphenyl)methoxy]-N-phenyloctanediamide
CID 25066137
2-(benzyloxy)-N8-hydroxy-N1-(4-methoxyphenyl)octanediamide
CID 25066140
[2-Oxo-2-[3-(trifluoromethyl)anilino]ethyl] 4-(hydroxymethyl)benzoate
CID 2517470
N-(2-fluorophenyl)-2-methoxy-2-phenylacetamide
CID 2897236
N-(3-fluorophenyl)-2-methoxy-2-phenylacetamide
CID 2928691
N,N'-benzene-1,4-diylbis(2-methoxy-2-phenylacetamide)
CID 3977038
[2-Oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl] cyclohexanecarboxylate
CID 4168101

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).