3,4-difluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide

C22H14F5N3O — CID 118335333

IUPAC3,4-difluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide
SMILESO=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1ccc(F)c(F)c1
InChIInChI=1S/C22H14F5N3O/c23-17-10-7-14(11-18(17)24)21(31)28-20-16-3-1-2-4-19(16)30(29-20)12-13-5-8-15(9-6-13)22(25,26)27/h1-11H,12H2,(H,28,29,31)
InChIKeyRWDRHYFUFAHFFX-UHFFFAOYSA-N
MW431.36 g/mol
LogP5.63
Rot. Bonds4

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

3,4-difluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide (PubChem CID 118335333) has the molecular formula C22H14F5N3O and a molecular weight of 431.36 g/mol. Its IUPAC name is 3,4-difluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide
PubChem CID118335333
Molecular FormulaC22H14F5N3O
Molecular Weight431.36 g/mol
Exact Mass431.11
IUPAC Name3,4-difluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide
SMILESO=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1ccc(F)c(F)c1
InChIInChI=1S/C22H14F5N3O/c23-17-10-7-14(11-18(17)24)21(31)28-20-16-3-1-2-4-19(16)30(29-20)12-13-5-8-15(9-6-13)22(25,26)27/h1-11H,12H2,(H,28,29,31)
InChIKeyRWDRHYFUFAHFFX-UHFFFAOYSA-N
XLogP5.63
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.36
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide?
The IUPAC name of 3,4-difluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide (CID 118335333) is 3,4-difluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide is O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide?
The InChIKey is RWDRHYFUFAHFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F5N3O/c23-17-10-7-14(11-18(17)24)21(31)28-20-16-3-1-2-4-19(16)30(29-20)12-13-5-8-15(9-6-13)22(25,26)27/h1-11H,12H2,(H,28,29,31).
What are the key properties of 3,4-difluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide?
3,4-difluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide has a molecular weight of 431.36 g/mol, XLogP of 5.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide is sourced from PubChem (CID 118335333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).