N-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]benzamide

C22H19N3O2 — CID 157049296

IUPACN-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]benzamide
SMILESCCOc1cccc(-c2ccc3c(NC(=O)c4ccccc4)n[nH]c3c2)c1
InChIInChI=1S/C22H19N3O2/c1-2-27-18-10-6-9-16(13-18)17-11-12-19-20(14-17)24-25-21(19)23-22(26)15-7-4-3-5-8-15/h3-14H,2H2,1H3,(H2,23,24,25,26)
InChIKeyQKJLYUUEYRTLCL-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.88
Rot. Bonds5

About N-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]benzamide

N-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]benzamide (PubChem CID 157049296) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]benzamide
PubChem CID157049296
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC NameN-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]benzamide
SMILESCCOc1cccc(-c2ccc3c(NC(=O)c4ccccc4)n[nH]c3c2)c1
InChIInChI=1S/C22H19N3O2/c1-2-27-18-10-6-9-16(13-18)17-11-12-19-20(14-17)24-25-21(19)23-22(26)15-7-4-3-5-8-15/h3-14H,2H2,1H3,(H2,23,24,25,26)
InChIKeyQKJLYUUEYRTLCL-UHFFFAOYSA-N
XLogP4.88
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]benzamide?
The IUPAC name of N-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]benzamide (CID 157049296) is N-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]benzamide.
What is the SMILES notation for N-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]benzamide?
The canonical SMILES for N-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]benzamide is CCOc1cccc(-c2ccc3c(NC(=O)c4ccccc4)n[nH]c3c2)c1.
What is the InChIKey of N-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]benzamide?
The InChIKey is QKJLYUUEYRTLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-2-27-18-10-6-9-16(13-18)17-11-12-19-20(14-17)24-25-21(19)23-22(26)15-7-4-3-5-8-15/h3-14H,2H2,1H3,(H2,23,24,25,26).
What are the key properties of N-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]benzamide?
N-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]benzamide has a molecular weight of 357.41 g/mol, XLogP of 4.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]benzamide is sourced from PubChem (CID 157049296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).