N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-2-[3-(trifluoromethyl)anilino]benzamide

C24H20F3N3O2 — CID 118723541

IUPACN-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-2-[3-(trifluoromethyl)anilino]benzamide
SMILESO=C(NCCc1c[nH]c2ccc(O)cc12)c1ccccc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H20F3N3O2/c25-24(26,27)16-4-3-5-17(12-16)30-22-7-2-1-6-19(22)23(32)28-11-10-15-14-29-21-9-8-18(31)13-20(15)21/h1-9,12-14,29-31H,10-11H2,(H,28,32)
InChIKeyOVXPBTKDVIMQPO-UHFFFAOYSA-N
MW439.44 g/mol
LogP5.61
Rot. Bonds6

About N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-2-[3-(trifluoromethyl)anilino]benzamide

N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-2-[3-(trifluoromethyl)anilino]benzamide (PubChem CID 118723541) has the molecular formula C24H20F3N3O2 and a molecular weight of 439.44 g/mol. Its IUPAC name is N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-2-[3-(trifluoromethyl)anilino]benzamide.

Molecular Properties

Compound NameN-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-2-[3-(trifluoromethyl)anilino]benzamide
PubChem CID118723541
Molecular FormulaC24H20F3N3O2
Molecular Weight439.44 g/mol
Exact Mass439.15
IUPAC NameN-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-2-[3-(trifluoromethyl)anilino]benzamide
SMILESO=C(NCCc1c[nH]c2ccc(O)cc12)c1ccccc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H20F3N3O2/c25-24(26,27)16-4-3-5-17(12-16)30-22-7-2-1-6-19(22)23(32)28-11-10-15-14-29-21-9-8-18(31)13-20(15)21/h1-9,12-14,29-31H,10-11H2,(H,28,32)
InChIKeyOVXPBTKDVIMQPO-UHFFFAOYSA-N
XLogP5.61
TPSA77.15 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.44
LogP ≤ 55.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-2-[3-(trifluoromethyl)anilino]benzamide 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-anilino-N-[2-(5-ethyl-1H-indol-3-yl)ethyl]benzamide
CID 175502809
2-fluoro-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 168786739
[2-[2-(5-hydroxy-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate
CID 118723540
N-[2-(cyclopropanecarbonylamino)ethyl]-2-[3-(trifluoromethyl)anilino]benzamide
CID 112767635
N-[2-(1H-indol-3-yl)ethyl]-2-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 118711596
2-(2-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 162373909
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-hydroxybenzamide
CID 155516405
N-[2-(1H-indol-3-yl)ethyl]-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 24663736
[3-[2-[(2-anilinobenzoyl)amino]ethyl]-1H-indol-5-yl] N-butylcarbamate
CID 175502824
[3-[2-[(2-anilinobenzoyl)amino]ethyl]-1H-indol-5-yl] azetidine-1-carboxylate
CID 172737766
N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-[3-(trifluoromethyl)anilino]benzamide
CID 56558972
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 113083594

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-2-[3-(trifluoromethyl)anilino]benzamide?
The IUPAC name of N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-2-[3-(trifluoromethyl)anilino]benzamide (CID 118723541) is N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-2-[3-(trifluoromethyl)anilino]benzamide.
What is the SMILES notation for N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-2-[3-(trifluoromethyl)anilino]benzamide?
The canonical SMILES for N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-2-[3-(trifluoromethyl)anilino]benzamide is O=C(NCCc1c[nH]c2ccc(O)cc12)c1ccccc1Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-2-[3-(trifluoromethyl)anilino]benzamide?
The InChIKey is OVXPBTKDVIMQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O2/c25-24(26,27)16-4-3-5-17(12-16)30-22-7-2-1-6-19(22)23(32)28-11-10-15-14-29-21-9-8-18(31)13-20(15)21/h1-9,12-14,29-31H,10-11H2,(H,28,32).
What are the key properties of N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-2-[3-(trifluoromethyl)anilino]benzamide?
N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-2-[3-(trifluoromethyl)anilino]benzamide has a molecular weight of 439.44 g/mol, XLogP of 5.61, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-2-[3-(trifluoromethyl)anilino]benzamide is sourced from PubChem (CID 118723541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).