5-chloro-N-[1-(2,6-dichlorobenzoyl)indazol-4-yl]-2-hydroxybenzamide

C21H12Cl3N3O3 — CID 162656144

IUPAC5-chloro-N-[1-(2,6-dichlorobenzoyl)indazol-4-yl]-2-hydroxybenzamide
SMILESO=C(Nc1cccc2c1cnn2C(=O)c1c(Cl)cccc1Cl)c1cc(Cl)ccc1O
InChIInChI=1S/C21H12Cl3N3O3/c22-11-7-8-18(28)12(9-11)20(29)26-16-5-2-6-17-13(16)10-25-27(17)21(30)19-14(23)3-1-4-15(19)24/h1-10,28H,(H,26,29)
InChIKeyLRUADDYJTIVUMM-UHFFFAOYSA-N
MW460.70 g/mol
LogP5.64
Rot. Bonds3

About 5-chloro-N-[1-(2,6-dichlorobenzoyl)indazol-4-yl]-2-hydroxybenzamide

5-chloro-N-[1-(2,6-dichlorobenzoyl)indazol-4-yl]-2-hydroxybenzamide (PubChem CID 162656144) has the molecular formula C21H12Cl3N3O3 and a molecular weight of 460.70 g/mol. Its IUPAC name is 5-chloro-N-[1-(2,6-dichlorobenzoyl)indazol-4-yl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[1-(2,6-dichlorobenzoyl)indazol-4-yl]-2-hydroxybenzamide
PubChem CID162656144
Molecular FormulaC21H12Cl3N3O3
Molecular Weight460.70 g/mol
Exact Mass458.99
IUPAC Name5-chloro-N-[1-(2,6-dichlorobenzoyl)indazol-4-yl]-2-hydroxybenzamide
SMILESO=C(Nc1cccc2c1cnn2C(=O)c1c(Cl)cccc1Cl)c1cc(Cl)ccc1O
InChIInChI=1S/C21H12Cl3N3O3/c22-11-7-8-18(28)12(9-11)20(29)26-16-5-2-6-17-13(16)10-25-27(17)21(30)19-14(23)3-1-4-15(19)24/h1-10,28H,(H,26,29)
InChIKeyLRUADDYJTIVUMM-UHFFFAOYSA-N
XLogP5.64
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.70
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(2,6-dichlorobenzoyl)indazol-4-yl]-2-hydroxybenzamide?
The IUPAC name of 5-chloro-N-[1-(2,6-dichlorobenzoyl)indazol-4-yl]-2-hydroxybenzamide (CID 162656144) is 5-chloro-N-[1-(2,6-dichlorobenzoyl)indazol-4-yl]-2-hydroxybenzamide.
What is the SMILES notation for 5-chloro-N-[1-(2,6-dichlorobenzoyl)indazol-4-yl]-2-hydroxybenzamide?
The canonical SMILES for 5-chloro-N-[1-(2,6-dichlorobenzoyl)indazol-4-yl]-2-hydroxybenzamide is O=C(Nc1cccc2c1cnn2C(=O)c1c(Cl)cccc1Cl)c1cc(Cl)ccc1O.
What is the InChIKey of 5-chloro-N-[1-(2,6-dichlorobenzoyl)indazol-4-yl]-2-hydroxybenzamide?
The InChIKey is LRUADDYJTIVUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12Cl3N3O3/c22-11-7-8-18(28)12(9-11)20(29)26-16-5-2-6-17-13(16)10-25-27(17)21(30)19-14(23)3-1-4-15(19)24/h1-10,28H,(H,26,29).
What are the key properties of 5-chloro-N-[1-(2,6-dichlorobenzoyl)indazol-4-yl]-2-hydroxybenzamide?
5-chloro-N-[1-(2,6-dichlorobenzoyl)indazol-4-yl]-2-hydroxybenzamide has a molecular weight of 460.70 g/mol, XLogP of 5.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(2,6-dichlorobenzoyl)indazol-4-yl]-2-hydroxybenzamide is sourced from PubChem (CID 162656144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).