2-(trifluoromethoxy)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide

C23H15F6N3O2 — CID 118335541

IUPAC2-(trifluoromethoxy)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide
SMILESO=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1ccccc1OC(F)(F)F
InChIInChI=1S/C23H15F6N3O2/c24-22(25,26)15-11-9-14(10-12-15)13-32-18-7-3-1-5-16(18)20(31-32)30-21(33)17-6-2-4-8-19(17)34-23(27,28)29/h1-12H,13H2,(H,30,31,33)
InChIKeyMMGCYMIUGMTZFG-UHFFFAOYSA-N
MW479.38 g/mol
LogP6.25
Rot. Bonds5

About 2-(trifluoromethoxy)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide

2-(trifluoromethoxy)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide (PubChem CID 118335541) has the molecular formula C23H15F6N3O2 and a molecular weight of 479.38 g/mol. Its IUPAC name is 2-(trifluoromethoxy)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide.

Molecular Properties

Compound Name2-(trifluoromethoxy)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide
PubChem CID118335541
Molecular FormulaC23H15F6N3O2
Molecular Weight479.38 g/mol
Exact Mass479.11
IUPAC Name2-(trifluoromethoxy)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide
SMILESO=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1ccccc1OC(F)(F)F
InChIInChI=1S/C23H15F6N3O2/c24-22(25,26)15-11-9-14(10-12-15)13-32-18-7-3-1-5-16(18)20(31-32)30-21(33)17-6-2-4-8-19(17)34-23(27,28)29/h1-12H,13H2,(H,30,31,33)
InChIKeyMMGCYMIUGMTZFG-UHFFFAOYSA-N
XLogP6.25
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.38
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pirtobrutinib
CID 129269915
2-Methyl-N-(1-((4-(trifluoromethyl)phenyl)methyl)-1H-indazol-3-yl)-3-furancarboxamide
CID 91844684
4-((3,5-bis(4-(trifluoromethoxy)phenyl)-1H-pyrazol-1-yl)methyl)-N-(2H-tetrazol-5-yl)benzamide
CID 10326056
2-(prop-2-enoylamino)-N-[6-[3-(trifluoromethoxy)phenyl]-1H-indazol-3-yl]benzamide
CID 162676670
4-[[1-[[4-(Difluoromethoxy)phenyl]methyl]-5-fluoroindazol-3-yl]carbamoyl]benzoic acid
CID 24954490
(R)-Pirtobrutinib
CID 129269918
N-[6-[2-fluoro-5-(trifluoromethoxy)phenyl]-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide
CID 162657298
N-(4-fluoro-1-methylindazol-3-yl)-3-methoxybenzamide
CID 2742955
N-(4-fluoro-1-methylindazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide
CID 2742956
(E)-N-(4-fluoro-1-methylindazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide
CID 5703763
2-methoxy-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]benzamide
CID 49176300
3-methoxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide
CID 172434181

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethoxy)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide?
The IUPAC name of 2-(trifluoromethoxy)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide (CID 118335541) is 2-(trifluoromethoxy)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide.
What is the SMILES notation for 2-(trifluoromethoxy)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide?
The canonical SMILES for 2-(trifluoromethoxy)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide is O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1ccccc1OC(F)(F)F.
What is the InChIKey of 2-(trifluoromethoxy)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide?
The InChIKey is MMGCYMIUGMTZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F6N3O2/c24-22(25,26)15-11-9-14(10-12-15)13-32-18-7-3-1-5-16(18)20(31-32)30-21(33)17-6-2-4-8-19(17)34-23(27,28)29/h1-12H,13H2,(H,30,31,33).
What are the key properties of 2-(trifluoromethoxy)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide?
2-(trifluoromethoxy)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide has a molecular weight of 479.38 g/mol, XLogP of 6.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethoxy)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide is sourced from PubChem (CID 118335541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).