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

C21H15ClFN3O2 — CID 163233992

IUPACN-[3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccc3c(cnn3-c3ccc(F)c(O)c3)c2)c(Cl)c1
InChIInChI=1S/C21H15ClFN3O2/c1-12(27)25-15-3-5-17(18(22)9-15)13-2-7-20-14(8-13)11-24-26(20)16-4-6-19(23)21(28)10-16/h2-11,28H,1H3,(H,25,27)
InChIKeyYZTHHCBQKIYKEU-UHFFFAOYSA-N
MW395.82 g/mol
LogP5.15
Rot. Bonds3

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

N-[3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenyl]acetamide (PubChem CID 163233992) has the molecular formula C21H15ClFN3O2 and a molecular weight of 395.82 g/mol. Its IUPAC name is N-[3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenyl]acetamide
PubChem CID163233992
Molecular FormulaC21H15ClFN3O2
Molecular Weight395.82 g/mol
Exact Mass395.08
IUPAC NameN-[3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccc3c(cnn3-c3ccc(F)c(O)c3)c2)c(Cl)c1
InChIInChI=1S/C21H15ClFN3O2/c1-12(27)25-15-3-5-17(18(22)9-15)13-2-7-20-14(8-13)11-24-26(20)16-4-6-19(23)21(28)10-16/h2-11,28H,1H3,(H,25,27)
InChIKeyYZTHHCBQKIYKEU-UHFFFAOYSA-N
XLogP5.15
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.82
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenyl]acetamide?
The IUPAC name of N-[3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenyl]acetamide (CID 163233992) is N-[3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenyl]acetamide?
The canonical SMILES for N-[3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2ccc3c(cnn3-c3ccc(F)c(O)c3)c2)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenyl]acetamide?
The InChIKey is YZTHHCBQKIYKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClFN3O2/c1-12(27)25-15-3-5-17(18(22)9-15)13-2-7-20-14(8-13)11-24-26(20)16-4-6-19(23)21(28)10-16/h2-11,28H,1H3,(H,25,27).
What are the key properties of N-[3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenyl]acetamide?
N-[3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenyl]acetamide has a molecular weight of 395.82 g/mol, XLogP of 5.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenyl]acetamide is sourced from PubChem (CID 163233992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).