2,4-difluoro-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]benzamide

C21H15F2N3O2 — CID 69065723

IUPAC2,4-difluoro-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]benzamide
SMILESCOc1cccc(-c2ccc3c(NC(=O)c4ccc(F)cc4F)n[nH]c3c2)c1
InChIInChI=1S/C21H15F2N3O2/c1-28-15-4-2-3-12(9-15)13-5-7-17-19(10-13)25-26-20(17)24-21(27)16-8-6-14(22)11-18(16)23/h2-11H,1H3,(H2,24,25,26,27)
InChIKeyGUBVUOSOZMAXRD-UHFFFAOYSA-N
MW379.37 g/mol
LogP4.77
Rot. Bonds4

About 2,4-difluoro-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]benzamide

2,4-difluoro-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]benzamide (PubChem CID 69065723) has the molecular formula C21H15F2N3O2 and a molecular weight of 379.37 g/mol. Its IUPAC name is 2,4-difluoro-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]benzamide
PubChem CID69065723
Molecular FormulaC21H15F2N3O2
Molecular Weight379.37 g/mol
Exact Mass379.11
IUPAC Name2,4-difluoro-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]benzamide
SMILESCOc1cccc(-c2ccc3c(NC(=O)c4ccc(F)cc4F)n[nH]c3c2)c1
InChIInChI=1S/C21H15F2N3O2/c1-28-15-4-2-3-12(9-15)13-5-7-17-19(10-13)25-26-20(17)24-21(27)16-8-6-14(22)11-18(16)23/h2-11H,1H3,(H2,24,25,26,27)
InChIKeyGUBVUOSOZMAXRD-UHFFFAOYSA-N
XLogP4.77
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]benzamide?
The IUPAC name of 2,4-difluoro-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]benzamide (CID 69065723) is 2,4-difluoro-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]benzamide is COc1cccc(-c2ccc3c(NC(=O)c4ccc(F)cc4F)n[nH]c3c2)c1.
What is the InChIKey of 2,4-difluoro-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]benzamide?
The InChIKey is GUBVUOSOZMAXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N3O2/c1-28-15-4-2-3-12(9-15)13-5-7-17-19(10-13)25-26-20(17)24-21(27)16-8-6-14(22)11-18(16)23/h2-11H,1H3,(H2,24,25,26,27).
What are the key properties of 2,4-difluoro-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]benzamide?
2,4-difluoro-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]benzamide has a molecular weight of 379.37 g/mol, XLogP of 4.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]benzamide is sourced from PubChem (CID 69065723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).