3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]-N,N-dimethylbenzamide

C22H17ClFN3O2 — CID 163234067

IUPAC3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2ccc3c(cnn3-c3ccc(F)c(O)c3)c2)c(Cl)c1
InChIInChI=1S/C22H17ClFN3O2/c1-26(2)22(29)14-3-6-17(18(23)10-14)13-4-8-20-15(9-13)12-25-27(20)16-5-7-19(24)21(28)11-16/h3-12,28H,1-2H3
InChIKeyNFLPHLUAXBKQAO-UHFFFAOYSA-N
MW409.85 g/mol
LogP4.89
Rot. Bonds3

About 3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]-N,N-dimethylbenzamide

3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]-N,N-dimethylbenzamide (PubChem CID 163234067) has the molecular formula C22H17ClFN3O2 and a molecular weight of 409.85 g/mol. Its IUPAC name is 3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]-N,N-dimethylbenzamide
PubChem CID163234067
Molecular FormulaC22H17ClFN3O2
Molecular Weight409.85 g/mol
Exact Mass409.10
IUPAC Name3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2ccc3c(cnn3-c3ccc(F)c(O)c3)c2)c(Cl)c1
InChIInChI=1S/C22H17ClFN3O2/c1-26(2)22(29)14-3-6-17(18(23)10-14)13-4-8-20-15(9-13)12-25-27(20)16-5-7-19(24)21(28)11-16/h3-12,28H,1-2H3
InChIKeyNFLPHLUAXBKQAO-UHFFFAOYSA-N
XLogP4.89
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.85
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]-N,N-dimethylbenzamide?
The IUPAC name of 3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]-N,N-dimethylbenzamide (CID 163234067) is 3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]-N,N-dimethylbenzamide is CN(C)C(=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]-N,N-dimethylbenzamide?
The InChIKey is NFLPHLUAXBKQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClFN3O2/c1-26(2)22(29)14-3-6-17(18(23)10-14)13-4-8-20-15(9-13)12-25-27(20)16-5-7-19(24)21(28)11-16/h3-12,28H,1-2H3.
What are the key properties of 3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]-N,N-dimethylbenzamide?
3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]-N,N-dimethylbenzamide has a molecular weight of 409.85 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 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]-N,N-dimethylbenzamide is sourced from PubChem (CID 163234067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).