N'-hydroxy-3-(4-hydroxyphenyl)-2-(1-methylindol-7-yl)-5-(trifluoromethyl)benzenecarboximidamide

C23H18F3N3O2 — CID 89401337

IUPACN'-hydroxy-3-(4-hydroxyphenyl)-2-(1-methylindol-7-yl)-5-(trifluoromethyl)benzenecarboximidamide
SMILESCn1ccc2cccc(-c3c(/C(N)=N/O)cc(C(F)(F)F)cc3-c3ccc(O)cc3)c21
InChIInChI=1S/C23H18F3N3O2/c1-29-10-9-14-3-2-4-17(21(14)29)20-18(13-5-7-16(30)8-6-13)11-15(23(24,25)26)12-19(20)22(27)28-31/h2-12,30-31H,1H3,(H2,27,28)
InChIKeyDJDTYXYAABGBDV-UHFFFAOYSA-N
MW425.41 g/mol
LogP5.33
Rot. Bonds3

About N'-hydroxy-3-(4-hydroxyphenyl)-2-(1-methylindol-7-yl)-5-(trifluoromethyl)benzenecarboximidamide

N'-hydroxy-3-(4-hydroxyphenyl)-2-(1-methylindol-7-yl)-5-(trifluoromethyl)benzenecarboximidamide (PubChem CID 89401337) has the molecular formula C23H18F3N3O2 and a molecular weight of 425.41 g/mol. Its IUPAC name is N'-hydroxy-3-(4-hydroxyphenyl)-2-(1-methylindol-7-yl)-5-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(4-hydroxyphenyl)-2-(1-methylindol-7-yl)-5-(trifluoromethyl)benzenecarboximidamide
PubChem CID89401337
Molecular FormulaC23H18F3N3O2
Molecular Weight425.41 g/mol
Exact Mass425.14
IUPAC NameN'-hydroxy-3-(4-hydroxyphenyl)-2-(1-methylindol-7-yl)-5-(trifluoromethyl)benzenecarboximidamide
SMILESCn1ccc2cccc(-c3c(/C(N)=N/O)cc(C(F)(F)F)cc3-c3ccc(O)cc3)c21
InChIInChI=1S/C23H18F3N3O2/c1-29-10-9-14-3-2-4-17(21(14)29)20-18(13-5-7-16(30)8-6-13)11-15(23(24,25)26)12-19(20)22(27)28-31/h2-12,30-31H,1H3,(H2,27,28)
InChIKeyDJDTYXYAABGBDV-UHFFFAOYSA-N
XLogP5.33
TPSA83.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.41
LogP ≤ 55.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-hydroxy-3-(4-hydroxyphenyl)-2-(1-methylindol-7-yl)-5-(trifluoromethyl)benzenecarboximidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(4-hydroxyphenyl)-2-(1-methylindol-7-yl)-5-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-(4-hydroxyphenyl)-2-(1-methylindol-7-yl)-5-(trifluoromethyl)benzenecarboximidamide (CID 89401337) is N'-hydroxy-3-(4-hydroxyphenyl)-2-(1-methylindol-7-yl)-5-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-(4-hydroxyphenyl)-2-(1-methylindol-7-yl)-5-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-(4-hydroxyphenyl)-2-(1-methylindol-7-yl)-5-(trifluoromethyl)benzenecarboximidamide is Cn1ccc2cccc(-c3c(/C(N)=N/O)cc(C(F)(F)F)cc3-c3ccc(O)cc3)c21.
What is the InChIKey of N'-hydroxy-3-(4-hydroxyphenyl)-2-(1-methylindol-7-yl)-5-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is DJDTYXYAABGBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O2/c1-29-10-9-14-3-2-4-17(21(14)29)20-18(13-5-7-16(30)8-6-13)11-15(23(24,25)26)12-19(20)22(27)28-31/h2-12,30-31H,1H3,(H2,27,28).
What are the key properties of N'-hydroxy-3-(4-hydroxyphenyl)-2-(1-methylindol-7-yl)-5-(trifluoromethyl)benzenecarboximidamide?
N'-hydroxy-3-(4-hydroxyphenyl)-2-(1-methylindol-7-yl)-5-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 425.41 g/mol, XLogP of 5.33, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(4-hydroxyphenyl)-2-(1-methylindol-7-yl)-5-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 89401337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).