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

C21H15ClFN3O2 — CID 163234366

IUPAC3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2ccc3c(cnn3-c3ccc(F)c(O)c3)c2)c(Cl)c1
InChIInChI=1S/C21H15ClFN3O2/c1-24-21(28)13-2-5-16(17(22)9-13)12-3-7-19-14(8-12)11-25-26(19)15-4-6-18(23)20(27)10-15/h2-11,27H,1H3,(H,24,28)
InChIKeyQDSSLJUUOTYJGN-UHFFFAOYSA-N
MW395.82 g/mol
LogP4.55
Rot. Bonds3

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

3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]-N-methylbenzamide (PubChem CID 163234366) has the molecular formula C21H15ClFN3O2 and a molecular weight of 395.82 g/mol. Its IUPAC name is 3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]-N-methylbenzamide.

Molecular Properties

Compound Name3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]-N-methylbenzamide
PubChem CID163234366
Molecular FormulaC21H15ClFN3O2
Molecular Weight395.82 g/mol
Exact Mass395.08
IUPAC Name3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2ccc3c(cnn3-c3ccc(F)c(O)c3)c2)c(Cl)c1
InChIInChI=1S/C21H15ClFN3O2/c1-24-21(28)13-2-5-16(17(22)9-13)12-3-7-19-14(8-12)11-25-26(19)15-4-6-18(23)20(27)10-15/h2-11,27H,1H3,(H,24,28)
InChIKeyQDSSLJUUOTYJGN-UHFFFAOYSA-N
XLogP4.55
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.82
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-[(1R)-1-[5-[2-chloro-4-(trifluoromethyl)phenyl]-4-methoxyindazol-2-yl]-3-methylbutyl]benzoyl]amino]propanoic acid
CID 134304090
3-[[4-[1-[5-[2-Chloro-4-(trifluoromethyl)phenyl]-4-methoxyindazol-2-yl]-3-methylbutyl]benzoyl]amino]propanoic acid
CID 134304091
3-[[4-[(1S)-1-[5-[2-chloro-4-(trifluoromethyl)phenyl]-4-methoxyindazol-2-yl]-3-methylbutyl]benzoyl]amino]propanoic acid
CID 134304096
3-[[4-[1-[5-[2-Chloro-4-(trifluoromethyl)phenyl]-4-methoxyindazol-1-yl]-3-methylbutyl]benzoyl]amino]propanoic acid
CID 134304141
3-[[4-[(1S)-1-[5-[2-chloro-4-(trifluoromethyl)phenyl]-4-methoxyindazol-1-yl]-3-methylbutyl]benzoyl]amino]propanoic acid
CID 134304171
3-Chloro-4-(1-(4-fluoro-3-hydroxyphenyl)-1H-indazol-5-yl)benzamide
CID 163233891
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

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]-N-methylbenzamide?
The IUPAC name of 3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]-N-methylbenzamide (CID 163234366) is 3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]-N-methylbenzamide.
What is the SMILES notation for 3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]-N-methylbenzamide?
The canonical SMILES for 3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]-N-methylbenzamide is CNC(=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-methylbenzamide?
The InChIKey is QDSSLJUUOTYJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClFN3O2/c1-24-21(28)13-2-5-16(17(22)9-13)12-3-7-19-14(8-12)11-25-26(19)15-4-6-18(23)20(27)10-15/h2-11,27H,1H3,(H,24,28).
What are the key properties of 3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]-N-methylbenzamide?
3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]-N-methylbenzamide has a molecular weight of 395.82 g/mol, XLogP of 4.55, 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]-N-methylbenzamide is sourced from PubChem (CID 163234366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).