N-(2-hydroxyethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]indazol-4-yl]benzamide

C24H20F3N3O2 — CID 59193828

IUPACN-(2-hydroxyethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]indazol-4-yl]benzamide
SMILESO=C(NCCO)c1cccc(-c2cccc3nn(Cc4cccc(C(F)(F)F)c4)cc23)c1
InChIInChI=1S/C24H20F3N3O2/c25-24(26,27)19-7-1-4-16(12-19)14-30-15-21-20(8-3-9-22(21)29-30)17-5-2-6-18(13-17)23(32)28-10-11-31/h1-9,12-13,15,31H,10-11,14H2,(H,28,32)
InChIKeyVFSYFJTWZMHGLB-UHFFFAOYSA-N
MW439.44 g/mol
LogP4.49
Rot. Bonds6

About N-(2-hydroxyethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]indazol-4-yl]benzamide

N-(2-hydroxyethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]indazol-4-yl]benzamide (PubChem CID 59193828) has the molecular formula C24H20F3N3O2 and a molecular weight of 439.44 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]indazol-4-yl]benzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]indazol-4-yl]benzamide
PubChem CID59193828
Molecular FormulaC24H20F3N3O2
Molecular Weight439.44 g/mol
Exact Mass439.15
IUPAC NameN-(2-hydroxyethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]indazol-4-yl]benzamide
SMILESO=C(NCCO)c1cccc(-c2cccc3nn(Cc4cccc(C(F)(F)F)c4)cc23)c1
InChIInChI=1S/C24H20F3N3O2/c25-24(26,27)19-7-1-4-16(12-19)14-30-15-21-20(8-3-9-22(21)29-30)17-5-2-6-18(13-17)23(32)28-10-11-31/h1-9,12-13,15,31H,10-11,14H2,(H,28,32)
InChIKeyVFSYFJTWZMHGLB-UHFFFAOYSA-N
XLogP4.49
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.44
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]indazol-4-yl]benzamide?
The IUPAC name of N-(2-hydroxyethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]indazol-4-yl]benzamide (CID 59193828) is N-(2-hydroxyethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]indazol-4-yl]benzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]indazol-4-yl]benzamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]indazol-4-yl]benzamide is O=C(NCCO)c1cccc(-c2cccc3nn(Cc4cccc(C(F)(F)F)c4)cc23)c1.
What is the InChIKey of N-(2-hydroxyethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]indazol-4-yl]benzamide?
The InChIKey is VFSYFJTWZMHGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O2/c25-24(26,27)19-7-1-4-16(12-19)14-30-15-21-20(8-3-9-22(21)29-30)17-5-2-6-18(13-17)23(32)28-10-11-31/h1-9,12-13,15,31H,10-11,14H2,(H,28,32).
What are the key properties of N-(2-hydroxyethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]indazol-4-yl]benzamide?
N-(2-hydroxyethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]indazol-4-yl]benzamide has a molecular weight of 439.44 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]indazol-4-yl]benzamide is sourced from PubChem (CID 59193828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).