3-[5-(2-chloroanilino)indazol-1-yl]-N-(2-hydroxyethyl)benzamide

C22H19ClN4O2 — CID 71602818

IUPAC3-[5-(2-chloroanilino)indazol-1-yl]-N-(2-hydroxyethyl)benzamide
SMILESO=C(NCCO)c1cccc(-n2ncc3cc(Nc4ccccc4Cl)ccc32)c1
InChIInChI=1S/C22H19ClN4O2/c23-19-6-1-2-7-20(19)26-17-8-9-21-16(12-17)14-25-27(21)18-5-3-4-15(13-18)22(29)24-10-11-28/h1-9,12-14,26,28H,10-11H2,(H,24,29)
InChIKeyYKQKOWXCFYHZEG-UHFFFAOYSA-N
MW406.87 g/mol
LogP4.14
Rot. Bonds6

About 3-[5-(2-chloroanilino)indazol-1-yl]-N-(2-hydroxyethyl)benzamide

3-[5-(2-chloroanilino)indazol-1-yl]-N-(2-hydroxyethyl)benzamide (PubChem CID 71602818) has the molecular formula C22H19ClN4O2 and a molecular weight of 406.87 g/mol. Its IUPAC name is 3-[5-(2-chloroanilino)indazol-1-yl]-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name3-[5-(2-chloroanilino)indazol-1-yl]-N-(2-hydroxyethyl)benzamide
PubChem CID71602818
Molecular FormulaC22H19ClN4O2
Molecular Weight406.87 g/mol
Exact Mass406.12
IUPAC Name3-[5-(2-chloroanilino)indazol-1-yl]-N-(2-hydroxyethyl)benzamide
SMILESO=C(NCCO)c1cccc(-n2ncc3cc(Nc4ccccc4Cl)ccc32)c1
InChIInChI=1S/C22H19ClN4O2/c23-19-6-1-2-7-20(19)26-17-8-9-21-16(12-17)14-25-27(21)18-5-3-4-15(13-18)22(29)24-10-11-28/h1-9,12-14,26,28H,10-11H2,(H,24,29)
InChIKeyYKQKOWXCFYHZEG-UHFFFAOYSA-N
XLogP4.14
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-chloroanilino)indazol-1-yl]-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 3-[5-(2-chloroanilino)indazol-1-yl]-N-(2-hydroxyethyl)benzamide (CID 71602818) is 3-[5-(2-chloroanilino)indazol-1-yl]-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 3-[5-(2-chloroanilino)indazol-1-yl]-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 3-[5-(2-chloroanilino)indazol-1-yl]-N-(2-hydroxyethyl)benzamide is O=C(NCCO)c1cccc(-n2ncc3cc(Nc4ccccc4Cl)ccc32)c1.
What is the InChIKey of 3-[5-(2-chloroanilino)indazol-1-yl]-N-(2-hydroxyethyl)benzamide?
The InChIKey is YKQKOWXCFYHZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O2/c23-19-6-1-2-7-20(19)26-17-8-9-21-16(12-17)14-25-27(21)18-5-3-4-15(13-18)22(29)24-10-11-28/h1-9,12-14,26,28H,10-11H2,(H,24,29).
What are the key properties of 3-[5-(2-chloroanilino)indazol-1-yl]-N-(2-hydroxyethyl)benzamide?
3-[5-(2-chloroanilino)indazol-1-yl]-N-(2-hydroxyethyl)benzamide has a molecular weight of 406.87 g/mol, XLogP of 4.14, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-chloroanilino)indazol-1-yl]-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 71602818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).