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

C22H15ClF3N3O — CID 118335391

IUPAC3-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide
SMILESO=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cccc(Cl)c1
InChIInChI=1S/C22H15ClF3N3O/c23-17-5-3-4-15(12-17)21(30)27-20-18-6-1-2-7-19(18)29(28-20)13-14-8-10-16(11-9-14)22(24,25)26/h1-12H,13H2,(H,27,28,30)
InChIKeyBGHUGMOWTJPVTL-UHFFFAOYSA-N
MW429.83 g/mol
LogP6.01
Rot. Bonds4

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

3-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide (PubChem CID 118335391) has the molecular formula C22H15ClF3N3O and a molecular weight of 429.83 g/mol. Its IUPAC name is 3-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide
PubChem CID118335391
Molecular FormulaC22H15ClF3N3O
Molecular Weight429.83 g/mol
Exact Mass429.09
IUPAC Name3-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide
SMILESO=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cccc(Cl)c1
InChIInChI=1S/C22H15ClF3N3O/c23-17-5-3-4-15(12-17)21(30)27-20-18-6-1-2-7-19(18)29(28-20)13-14-8-10-16(11-9-14)22(24,25)26/h1-12H,13H2,(H,27,28,30)
InChIKeyBGHUGMOWTJPVTL-UHFFFAOYSA-N
XLogP6.01
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.83
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide?
The IUPAC name of 3-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide (CID 118335391) is 3-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide?
The canonical SMILES for 3-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide is O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide?
The InChIKey is BGHUGMOWTJPVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClF3N3O/c23-17-5-3-4-15(12-17)21(30)27-20-18-6-1-2-7-19(18)29(28-20)13-14-8-10-16(11-9-14)22(24,25)26/h1-12H,13H2,(H,27,28,30).
What are the key properties of 3-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide?
3-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide has a molecular weight of 429.83 g/mol, XLogP of 6.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide is sourced from PubChem (CID 118335391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).