N-(1-tert-butyl-3-phenylindazol-4-yl)-4-chlorobenzamide

C24H22ClN3O — CID 22466067

IUPACN-(1-tert-butyl-3-phenylindazol-4-yl)-4-chlorobenzamide
SMILESCC(C)(C)n1nc(-c2ccccc2)c2c(NC(=O)c3ccc(Cl)cc3)cccc21
InChIInChI=1S/C24H22ClN3O/c1-24(2,3)28-20-11-7-10-19(26-23(29)17-12-14-18(25)15-13-17)21(20)22(27-28)16-8-5-4-6-9-16/h4-15H,1-3H3,(H,26,29)
InChIKeyNZSQDBSSESNZQE-UHFFFAOYSA-N
MW403.91 g/mol
LogP6.36
Rot. Bonds3

About N-(1-tert-butyl-3-phenylindazol-4-yl)-4-chlorobenzamide

N-(1-tert-butyl-3-phenylindazol-4-yl)-4-chlorobenzamide (PubChem CID 22466067) has the molecular formula C24H22ClN3O and a molecular weight of 403.91 g/mol. Its IUPAC name is N-(1-tert-butyl-3-phenylindazol-4-yl)-4-chlorobenzamide.

Molecular Properties

Compound NameN-(1-tert-butyl-3-phenylindazol-4-yl)-4-chlorobenzamide
PubChem CID22466067
Molecular FormulaC24H22ClN3O
Molecular Weight403.91 g/mol
Exact Mass403.15
IUPAC NameN-(1-tert-butyl-3-phenylindazol-4-yl)-4-chlorobenzamide
SMILESCC(C)(C)n1nc(-c2ccccc2)c2c(NC(=O)c3ccc(Cl)cc3)cccc21
InChIInChI=1S/C24H22ClN3O/c1-24(2,3)28-20-11-7-10-19(26-23(29)17-12-14-18(25)15-13-17)21(20)22(27-28)16-8-5-4-6-9-16/h4-15H,1-3H3,(H,26,29)
InChIKeyNZSQDBSSESNZQE-UHFFFAOYSA-N
XLogP6.36
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.91
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butyl-3-phenylindazol-4-yl)-4-chlorobenzamide?
The IUPAC name of N-(1-tert-butyl-3-phenylindazol-4-yl)-4-chlorobenzamide (CID 22466067) is N-(1-tert-butyl-3-phenylindazol-4-yl)-4-chlorobenzamide.
What is the SMILES notation for N-(1-tert-butyl-3-phenylindazol-4-yl)-4-chlorobenzamide?
The canonical SMILES for N-(1-tert-butyl-3-phenylindazol-4-yl)-4-chlorobenzamide is CC(C)(C)n1nc(-c2ccccc2)c2c(NC(=O)c3ccc(Cl)cc3)cccc21.
What is the InChIKey of N-(1-tert-butyl-3-phenylindazol-4-yl)-4-chlorobenzamide?
The InChIKey is NZSQDBSSESNZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O/c1-24(2,3)28-20-11-7-10-19(26-23(29)17-12-14-18(25)15-13-17)21(20)22(27-28)16-8-5-4-6-9-16/h4-15H,1-3H3,(H,26,29).
What are the key properties of N-(1-tert-butyl-3-phenylindazol-4-yl)-4-chlorobenzamide?
N-(1-tert-butyl-3-phenylindazol-4-yl)-4-chlorobenzamide has a molecular weight of 403.91 g/mol, XLogP of 6.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butyl-3-phenylindazol-4-yl)-4-chlorobenzamide is sourced from PubChem (CID 22466067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).