3,4,5-trimethoxy-N-[3-(tetrazol-1-yl)phenyl]benzamide

C17H17N5O4 — CID 7967921

IUPAC3,4,5-trimethoxy-N-[3-(tetrazol-1-yl)phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2cccc(-n3cnnn3)c2)cc(OC)c1OC
InChIInChI=1S/C17H17N5O4/c1-24-14-7-11(8-15(25-2)16(14)26-3)17(23)19-12-5-4-6-13(9-12)22-10-18-20-21-22/h4-10H,1-3H3,(H,19,23)
InChIKeyGJNYSQFFRKEPFN-UHFFFAOYSA-N
MW355.35 g/mol
LogP1.94
Rot. Bonds6

About 3,4,5-trimethoxy-N-[3-(tetrazol-1-yl)phenyl]benzamide

3,4,5-trimethoxy-N-[3-(tetrazol-1-yl)phenyl]benzamide (PubChem CID 7967921) has the molecular formula C17H17N5O4 and a molecular weight of 355.35 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[3-(tetrazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[3-(tetrazol-1-yl)phenyl]benzamide
PubChem CID7967921
Molecular FormulaC17H17N5O4
Molecular Weight355.35 g/mol
Exact Mass355.13
IUPAC Name3,4,5-trimethoxy-N-[3-(tetrazol-1-yl)phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2cccc(-n3cnnn3)c2)cc(OC)c1OC
InChIInChI=1S/C17H17N5O4/c1-24-14-7-11(8-15(25-2)16(14)26-3)17(23)19-12-5-4-6-13(9-12)22-10-18-20-21-22/h4-10H,1-3H3,(H,19,23)
InChIKeyGJNYSQFFRKEPFN-UHFFFAOYSA-N
XLogP1.94
TPSA100.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[3-(tetrazol-1-yl)phenyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[3-(tetrazol-1-yl)phenyl]benzamide (CID 7967921) is 3,4,5-trimethoxy-N-[3-(tetrazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[3-(tetrazol-1-yl)phenyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[3-(tetrazol-1-yl)phenyl]benzamide is COc1cc(C(=O)Nc2cccc(-n3cnnn3)c2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[3-(tetrazol-1-yl)phenyl]benzamide?
The InChIKey is GJNYSQFFRKEPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O4/c1-24-14-7-11(8-15(25-2)16(14)26-3)17(23)19-12-5-4-6-13(9-12)22-10-18-20-21-22/h4-10H,1-3H3,(H,19,23).
What are the key properties of 3,4,5-trimethoxy-N-[3-(tetrazol-1-yl)phenyl]benzamide?
3,4,5-trimethoxy-N-[3-(tetrazol-1-yl)phenyl]benzamide has a molecular weight of 355.35 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[3-(tetrazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 7967921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).