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

C22H15ClF3N3O — CID 153318212

IUPACN-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide
SMILESO=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2cccc(Cl)c12)c1ccccc1
InChIInChI=1S/C22H15ClF3N3O/c23-17-7-4-8-18-19(17)20(27-21(30)15-5-2-1-3-6-15)28-29(18)13-14-9-11-16(12-10-14)22(24,25)26/h1-12H,13H2,(H,27,28,30)
InChIKeyUUUNQUXSFKJPBL-UHFFFAOYSA-N
MW429.83 g/mol
LogP6.01
Rot. Bonds4

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

N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide (PubChem CID 153318212) has the molecular formula C22H15ClF3N3O and a molecular weight of 429.83 g/mol. Its IUPAC name is N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide
PubChem CID153318212
Molecular FormulaC22H15ClF3N3O
Molecular Weight429.83 g/mol
Exact Mass429.09
IUPAC NameN-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide
SMILESO=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2cccc(Cl)c12)c1ccccc1
InChIInChI=1S/C22H15ClF3N3O/c23-17-7-4-8-18-19(17)20(27-21(30)15-5-2-1-3-6-15)28-29(18)13-14-9-11-16(12-10-14)22(24,25)26/h1-12H,13H2,(H,27,28,30)
InChIKeyUUUNQUXSFKJPBL-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 N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide?
The IUPAC name of N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide (CID 153318212) is N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide.
What is the SMILES notation for N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide?
The canonical SMILES for N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide is O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2cccc(Cl)c12)c1ccccc1.
What is the InChIKey of N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide?
The InChIKey is UUUNQUXSFKJPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClF3N3O/c23-17-7-4-8-18-19(17)20(27-21(30)15-5-2-1-3-6-15)28-29(18)13-14-9-11-16(12-10-14)22(24,25)26/h1-12H,13H2,(H,27,28,30).
What are the key properties of N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide?
N-[4-chloro-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 N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide is sourced from PubChem (CID 153318212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).