5-chloro-2-hydroxy-N-[2-(2-hydroxyethyl)indazol-4-yl]benzamide

C16H14ClN3O3 — CID 162653217

IUPAC5-chloro-2-hydroxy-N-[2-(2-hydroxyethyl)indazol-4-yl]benzamide
SMILESO=C(Nc1cccc2nn(CCO)cc12)c1cc(Cl)ccc1O
InChIInChI=1S/C16H14ClN3O3/c17-10-4-5-15(22)11(8-10)16(23)18-13-2-1-3-14-12(13)9-20(19-14)6-7-21/h1-5,8-9,21-22H,6-7H2,(H,18,23)
InChIKeyMEMIHQZVFJACIF-UHFFFAOYSA-N
MW331.76 g/mol
LogP2.64
Rot. Bonds4

About 5-chloro-2-hydroxy-N-[2-(2-hydroxyethyl)indazol-4-yl]benzamide

5-chloro-2-hydroxy-N-[2-(2-hydroxyethyl)indazol-4-yl]benzamide (PubChem CID 162653217) has the molecular formula C16H14ClN3O3 and a molecular weight of 331.76 g/mol. Its IUPAC name is 5-chloro-2-hydroxy-N-[2-(2-hydroxyethyl)indazol-4-yl]benzamide.

Molecular Properties

Compound Name5-chloro-2-hydroxy-N-[2-(2-hydroxyethyl)indazol-4-yl]benzamide
PubChem CID162653217
Molecular FormulaC16H14ClN3O3
Molecular Weight331.76 g/mol
Exact Mass331.07
IUPAC Name5-chloro-2-hydroxy-N-[2-(2-hydroxyethyl)indazol-4-yl]benzamide
SMILESO=C(Nc1cccc2nn(CCO)cc12)c1cc(Cl)ccc1O
InChIInChI=1S/C16H14ClN3O3/c17-10-4-5-15(22)11(8-10)16(23)18-13-2-1-3-14-12(13)9-20(19-14)6-7-21/h1-5,8-9,21-22H,6-7H2,(H,18,23)
InChIKeyMEMIHQZVFJACIF-UHFFFAOYSA-N
XLogP2.64
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.76
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydroxy-N-[2-(2-hydroxyethyl)indazol-4-yl]benzamide?
The IUPAC name of 5-chloro-2-hydroxy-N-[2-(2-hydroxyethyl)indazol-4-yl]benzamide (CID 162653217) is 5-chloro-2-hydroxy-N-[2-(2-hydroxyethyl)indazol-4-yl]benzamide.
What is the SMILES notation for 5-chloro-2-hydroxy-N-[2-(2-hydroxyethyl)indazol-4-yl]benzamide?
The canonical SMILES for 5-chloro-2-hydroxy-N-[2-(2-hydroxyethyl)indazol-4-yl]benzamide is O=C(Nc1cccc2nn(CCO)cc12)c1cc(Cl)ccc1O.
What is the InChIKey of 5-chloro-2-hydroxy-N-[2-(2-hydroxyethyl)indazol-4-yl]benzamide?
The InChIKey is MEMIHQZVFJACIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O3/c17-10-4-5-15(22)11(8-10)16(23)18-13-2-1-3-14-12(13)9-20(19-14)6-7-21/h1-5,8-9,21-22H,6-7H2,(H,18,23).
What are the key properties of 5-chloro-2-hydroxy-N-[2-(2-hydroxyethyl)indazol-4-yl]benzamide?
5-chloro-2-hydroxy-N-[2-(2-hydroxyethyl)indazol-4-yl]benzamide has a molecular weight of 331.76 g/mol, XLogP of 2.64, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydroxy-N-[2-(2-hydroxyethyl)indazol-4-yl]benzamide is sourced from PubChem (CID 162653217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).