3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide

C19H18F3N3O2 — CID 165385158

IUPAC3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide
SMILESCCOc1cc(C(=O)N(C)Cc2cccc3cn[nH]c23)ccc1C(F)(F)F
InChIInChI=1S/C19H18F3N3O2/c1-3-27-16-9-12(7-8-15(16)19(20,21)22)18(26)25(2)11-14-6-4-5-13-10-23-24-17(13)14/h4-10H,3,11H2,1-2H3,(H,23,24)
InChIKeyCUWJKBISCUBQOQ-UHFFFAOYSA-N
MW377.37 g/mol
LogP4.25
Rot. Bonds5

About 3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide

3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide (PubChem CID 165385158) has the molecular formula C19H18F3N3O2 and a molecular weight of 377.37 g/mol. Its IUPAC name is 3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide
PubChem CID165385158
Molecular FormulaC19H18F3N3O2
Molecular Weight377.37 g/mol
Exact Mass377.14
IUPAC Name3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide
SMILESCCOc1cc(C(=O)N(C)Cc2cccc3cn[nH]c23)ccc1C(F)(F)F
InChIInChI=1S/C19H18F3N3O2/c1-3-27-16-9-12(7-8-15(16)19(20,21)22)18(26)25(2)11-14-6-4-5-13-10-23-24-17(13)14/h4-10H,3,11H2,1-2H3,(H,23,24)
InChIKeyCUWJKBISCUBQOQ-UHFFFAOYSA-N
XLogP4.25
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide?
The IUPAC name of 3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide (CID 165385158) is 3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide?
The canonical SMILES for 3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide is CCOc1cc(C(=O)N(C)Cc2cccc3cn[nH]c23)ccc1C(F)(F)F.
What is the InChIKey of 3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide?
The InChIKey is CUWJKBISCUBQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O2/c1-3-27-16-9-12(7-8-15(16)19(20,21)22)18(26)25(2)11-14-6-4-5-13-10-23-24-17(13)14/h4-10H,3,11H2,1-2H3,(H,23,24).
What are the key properties of 3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide?
3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide has a molecular weight of 377.37 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 165385158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).