N-[4-fluoro-3-(1H-indazol-6-yl)phenyl]-3-(trifluoromethyl)benzamide

C21H13F4N3O — CID 155537364

IUPACN-[4-fluoro-3-(1H-indazol-6-yl)phenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(F)c(-c2ccc3cn[nH]c3c2)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H13F4N3O/c22-18-7-6-16(10-17(18)12-4-5-14-11-26-28-19(14)9-12)27-20(29)13-2-1-3-15(8-13)21(23,24)25/h1-11H,(H,26,28)(H,27,29)
InChIKeyZLZBJYHFMSDVHE-UHFFFAOYSA-N
MW399.35 g/mol
LogP5.64
Rot. Bonds3

About N-[4-fluoro-3-(1H-indazol-6-yl)phenyl]-3-(trifluoromethyl)benzamide

N-[4-fluoro-3-(1H-indazol-6-yl)phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 155537364) has the molecular formula C21H13F4N3O and a molecular weight of 399.35 g/mol. Its IUPAC name is N-[4-fluoro-3-(1H-indazol-6-yl)phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(1H-indazol-6-yl)phenyl]-3-(trifluoromethyl)benzamide
PubChem CID155537364
Molecular FormulaC21H13F4N3O
Molecular Weight399.35 g/mol
Exact Mass399.10
IUPAC NameN-[4-fluoro-3-(1H-indazol-6-yl)phenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(F)c(-c2ccc3cn[nH]c3c2)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H13F4N3O/c22-18-7-6-16(10-17(18)12-4-5-14-11-26-28-19(14)9-12)27-20(29)13-2-1-3-15(8-13)21(23,24)25/h1-11H,(H,26,28)(H,27,29)
InChIKeyZLZBJYHFMSDVHE-UHFFFAOYSA-N
XLogP5.64
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.35
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(1H-indazol-6-yl)phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-fluoro-3-(1H-indazol-6-yl)phenyl]-3-(trifluoromethyl)benzamide (CID 155537364) is N-[4-fluoro-3-(1H-indazol-6-yl)phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-fluoro-3-(1H-indazol-6-yl)phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-fluoro-3-(1H-indazol-6-yl)phenyl]-3-(trifluoromethyl)benzamide is O=C(Nc1ccc(F)c(-c2ccc3cn[nH]c3c2)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[4-fluoro-3-(1H-indazol-6-yl)phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is ZLZBJYHFMSDVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F4N3O/c22-18-7-6-16(10-17(18)12-4-5-14-11-26-28-19(14)9-12)27-20(29)13-2-1-3-15(8-13)21(23,24)25/h1-11H,(H,26,28)(H,27,29).
What are the key properties of N-[4-fluoro-3-(1H-indazol-6-yl)phenyl]-3-(trifluoromethyl)benzamide?
N-[4-fluoro-3-(1H-indazol-6-yl)phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 399.35 g/mol, XLogP of 5.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(1H-indazol-6-yl)phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 155537364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).