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

C22H14F5N3O — CID 118335319

IUPAC2,3-difluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide
SMILESO=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cccc(F)c1F
InChIInChI=1S/C22H14F5N3O/c23-17-6-3-5-16(19(17)24)21(31)28-20-15-4-1-2-7-18(15)30(29-20)12-13-8-10-14(11-9-13)22(25,26)27/h1-11H,12H2,(H,28,29,31)
InChIKeyQAEDMPLSSDJVTI-UHFFFAOYSA-N
MW431.36 g/mol
LogP5.63
Rot. Bonds4

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

2,3-difluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide (PubChem CID 118335319) has the molecular formula C22H14F5N3O and a molecular weight of 431.36 g/mol. Its IUPAC name is 2,3-difluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide.

Molecular Properties

Compound Name2,3-difluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide
PubChem CID118335319
Molecular FormulaC22H14F5N3O
Molecular Weight431.36 g/mol
Exact Mass431.11
IUPAC Name2,3-difluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide
SMILESO=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cccc(F)c1F
InChIInChI=1S/C22H14F5N3O/c23-17-6-3-5-16(19(17)24)21(31)28-20-15-4-1-2-7-18(15)30(29-20)12-13-8-10-14(11-9-13)22(25,26)27/h1-11H,12H2,(H,28,29,31)
InChIKeyQAEDMPLSSDJVTI-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 2,3-difluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide?
The IUPAC name of 2,3-difluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide (CID 118335319) is 2,3-difluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide.
What is the SMILES notation for 2,3-difluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide?
The canonical SMILES for 2,3-difluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide is O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cccc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide?
The InChIKey is QAEDMPLSSDJVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F5N3O/c23-17-6-3-5-16(19(17)24)21(31)28-20-15-4-1-2-7-18(15)30(29-20)12-13-8-10-14(11-9-13)22(25,26)27/h1-11H,12H2,(H,28,29,31).
What are the key properties of 2,3-difluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide?
2,3-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 2,3-difluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide is sourced from PubChem (CID 118335319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).