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

C23H16F5N3O2 — CID 118335473

IUPAC2-(difluoromethoxy)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide
SMILESO=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1ccccc1OC(F)F
InChIInChI=1S/C23H16F5N3O2/c24-22(25)33-19-8-4-2-6-17(19)21(32)29-20-16-5-1-3-7-18(16)31(30-20)13-14-9-11-15(12-10-14)23(26,27)28/h1-12,22H,13H2,(H,29,30,32)
InChIKeyPIYVWAHGQZPJHO-UHFFFAOYSA-N
MW461.39 g/mol
LogP5.96
Rot. Bonds6

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

2-(difluoromethoxy)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide (PubChem CID 118335473) has the molecular formula C23H16F5N3O2 and a molecular weight of 461.39 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide
PubChem CID118335473
Molecular FormulaC23H16F5N3O2
Molecular Weight461.39 g/mol
Exact Mass461.12
IUPAC Name2-(difluoromethoxy)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide
SMILESO=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1ccccc1OC(F)F
InChIInChI=1S/C23H16F5N3O2/c24-22(25)33-19-8-4-2-6-17(19)21(32)29-20-16-5-1-3-7-18(16)31(30-20)13-14-9-11-15(12-10-14)23(26,27)28/h1-12,22H,13H2,(H,29,30,32)
InChIKeyPIYVWAHGQZPJHO-UHFFFAOYSA-N
XLogP5.96
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.39
LogP ≤ 55.96
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-cyano-5-fluoro-N-(4-isopropoxy-1-methyl-1H-indazol-3-yl)benzamide
CID 70725801

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide?
The IUPAC name of 2-(difluoromethoxy)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide (CID 118335473) is 2-(difluoromethoxy)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide?
The canonical SMILES for 2-(difluoromethoxy)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide is O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1ccccc1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide?
The InChIKey is PIYVWAHGQZPJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F5N3O2/c24-22(25)33-19-8-4-2-6-17(19)21(32)29-20-16-5-1-3-7-18(16)31(30-20)13-14-9-11-15(12-10-14)23(26,27)28/h1-12,22H,13H2,(H,29,30,32).
What are the key properties of 2-(difluoromethoxy)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide?
2-(difluoromethoxy)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide has a molecular weight of 461.39 g/mol, XLogP of 5.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide is sourced from PubChem (CID 118335473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).