N-hydroxy-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]indole-6-carboxamide

C23H17F3N2O3 — CID 169024522

IUPACN-hydroxy-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]indole-6-carboxamide
SMILESO=C(NO)c1ccc2ccn(-c3ccc(OCc4ccc(C(F)(F)F)cc4)cc3)c2c1
InChIInChI=1S/C23H17F3N2O3/c24-23(25,26)18-5-1-15(2-6-18)14-31-20-9-7-19(8-10-20)28-12-11-16-3-4-17(13-21(16)28)22(29)27-30/h1-13,30H,14H2,(H,27,29)
InChIKeyVNWYVZOQKBZIHG-UHFFFAOYSA-N
MW426.39 g/mol
LogP5.35
Rot. Bonds5

About N-hydroxy-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]indole-6-carboxamide

N-hydroxy-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]indole-6-carboxamide (PubChem CID 169024522) has the molecular formula C23H17F3N2O3 and a molecular weight of 426.39 g/mol. Its IUPAC name is N-hydroxy-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]indole-6-carboxamide.

Molecular Properties

Compound NameN-hydroxy-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]indole-6-carboxamide
PubChem CID169024522
Molecular FormulaC23H17F3N2O3
Molecular Weight426.39 g/mol
Exact Mass426.12
IUPAC NameN-hydroxy-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]indole-6-carboxamide
SMILESO=C(NO)c1ccc2ccn(-c3ccc(OCc4ccc(C(F)(F)F)cc4)cc3)c2c1
InChIInChI=1S/C23H17F3N2O3/c24-23(25,26)18-5-1-15(2-6-18)14-31-20-9-7-19(8-10-20)28-12-11-16-3-4-17(13-21(16)28)22(29)27-30/h1-13,30H,14H2,(H,27,29)
InChIKeyVNWYVZOQKBZIHG-UHFFFAOYSA-N
XLogP5.35
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.39
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-hydroxy-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]indole-6-carboxamide 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

N-hydroxy-3-[4-[3-[4-(trifluoromethyl)phenyl]propoxy]phenyl]benzimidazole-5-carboxamide
CID 169024528
4-[[4-(trifluoromethyl)phenyl]methoxy]benzoic acid
CID 43214876
3-[4-[(4-cyanophenyl)methoxy]phenyl]-N-hydroxybenzimidazole-5-carboxamide
CID 169024525
N-[(3S,6R)-3,6-dimethylcycloheptyl]-1-[4-(trifluoromethyl)phenyl]indole-6-carboxamide
CID 167388592
N-hydroxy-1-[[4-(hydroxycarbamoyl)phenyl]methyl]indole-6-carboxamide
CID 146035570
1-phenyl-6-phenylmethoxyindole
CID 22049132
3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenoxy]propanoic acid
CID 146593712
N-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]cyclopropanecarboxamide
CID 60522254
1-hydroxy-2-oxo-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethanesulfonic acid
CID 13340075
1-tert-butyl-4-[[4-(trifluoromethyl)phenoxy]methyl]benzene
CID 171509643
2-methyl-4-[[4-(trifluoromethyl)phenoxy]methyl]benzoic acid
CID 117220530
4-phenylmethoxy-N'-[3-(trifluoromethyl)phenyl]benzohydrazide
CID 55343538

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]indole-6-carboxamide?
The IUPAC name of N-hydroxy-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]indole-6-carboxamide (CID 169024522) is N-hydroxy-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]indole-6-carboxamide.
What is the SMILES notation for N-hydroxy-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]indole-6-carboxamide?
The canonical SMILES for N-hydroxy-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]indole-6-carboxamide is O=C(NO)c1ccc2ccn(-c3ccc(OCc4ccc(C(F)(F)F)cc4)cc3)c2c1.
What is the InChIKey of N-hydroxy-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]indole-6-carboxamide?
The InChIKey is VNWYVZOQKBZIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N2O3/c24-23(25,26)18-5-1-15(2-6-18)14-31-20-9-7-19(8-10-20)28-12-11-16-3-4-17(13-21(16)28)22(29)27-30/h1-13,30H,14H2,(H,27,29).
What are the key properties of N-hydroxy-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]indole-6-carboxamide?
N-hydroxy-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]indole-6-carboxamide has a molecular weight of 426.39 g/mol, XLogP of 5.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]indole-6-carboxamide is sourced from PubChem (CID 169024522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).