3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzamide

C20H13ClFN3O2 — CID 163233891

IUPAC3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzamide
SMILESNC(=O)c1ccc(-c2ccc3c(cnn3-c3ccc(F)c(O)c3)c2)c(Cl)c1
InChIInChI=1S/C20H13ClFN3O2/c21-16-8-12(20(23)27)1-4-15(16)11-2-6-18-13(7-11)10-24-25(18)14-3-5-17(22)19(26)9-14/h1-10,26H,(H2,23,27)
InChIKeyJDTFVLDOCOAACG-UHFFFAOYSA-N
MW381.79 g/mol
LogP4.29
Rot. Bonds3

About 3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzamide

3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzamide (PubChem CID 163233891) has the molecular formula C20H13ClFN3O2 and a molecular weight of 381.79 g/mol. Its IUPAC name is 3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzamide.

Molecular Properties

Compound Name3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzamide
PubChem CID163233891
Molecular FormulaC20H13ClFN3O2
Molecular Weight381.79 g/mol
Exact Mass381.07
IUPAC Name3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzamide
SMILESNC(=O)c1ccc(-c2ccc3c(cnn3-c3ccc(F)c(O)c3)c2)c(Cl)c1
InChIInChI=1S/C20H13ClFN3O2/c21-16-8-12(20(23)27)1-4-15(16)11-2-6-18-13(7-11)10-24-25(18)14-3-5-17(22)19(26)9-14/h1-10,26H,(H2,23,27)
InChIKeyJDTFVLDOCOAACG-UHFFFAOYSA-N
XLogP4.29
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.79
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Chloro-4-(1-(2-fluoro-5-hydroxyphenyl)-1H-indazol-5-yl)phenol
CID 163233808
5-(6-Cloro-5-(2-chloro-4-hydroxyphenyl)-1H-indazol-1-yl)-2,3-difluorophenol
CID 163233880
2-Chloro-4-(1-(3-fluoro-5-hydroxyphenyl)-1H-indazol-5-yl)phenol
CID 163233899
5-(5-(3-Chlorophenyl)-1H-indazol-1-yl)-2-fluorophenol
CID 163233963
3-Chloro-4-(1-(4-Fluoro-3-hydroxyphenyl)-1H-indazol-5-yl)benzoic acid
CID 163233985
3-(1-(4-Fluoro-3-hydroxyphenyl)-1H-indazol-5-yl)benzoic acid
CID 163233990
N-(3-Chloro-4-(1-(4-fluoro-3-hydroxyphenyl)-1H-indazol-5-yl)phenyl)acetamide
CID 163233992
5-(5-(4-Chlorophenyl)-1H-indazol-1-yl)-2-fluorophenol
CID 163233999
5-(5-(4-Amino-2-chlorophenyl)-1H-indazol-1-yl)-2-fluorophenol
CID 163234013
5-(5-(3-Chloro-4-hydroxyphenyl)-1H-indazol-1-yl)-2,4-difluorophenol
CID 163234057
3-Chloro-4-(1-(4-fluoro-3-hydroxyphenyl)-1H-indazol-5-yl)-N,N-dimethylbenzamide
CID 163234067
5-(3-Chloro-4-hydroxyphenyl)-1-(4-fluoro-3-hydroxyphenyl)-N,N-dimethyl-1H-indazole-3-carboxamide
CID 163234161

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzamide?
The IUPAC name of 3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzamide (CID 163233891) is 3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzamide.
What is the SMILES notation for 3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzamide?
The canonical SMILES for 3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzamide is NC(=O)c1ccc(-c2ccc3c(cnn3-c3ccc(F)c(O)c3)c2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzamide?
The InChIKey is JDTFVLDOCOAACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClFN3O2/c21-16-8-12(20(23)27)1-4-15(16)11-2-6-18-13(7-11)10-24-25(18)14-3-5-17(22)19(26)9-14/h1-10,26H,(H2,23,27).
What are the key properties of 3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzamide?
3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzamide has a molecular weight of 381.79 g/mol, XLogP of 4.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzamide is sourced from PubChem (CID 163233891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).