2,3,4-trimethoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide

C17H17N5O4 — CID 2461142

IUPAC2,3,4-trimethoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-n3cnnn3)cc2)c(OC)c1OC
InChIInChI=1S/C17H17N5O4/c1-24-14-9-8-13(15(25-2)16(14)26-3)17(23)19-11-4-6-12(7-5-11)22-10-18-20-21-22/h4-10H,1-3H3,(H,19,23)
InChIKeyNLBCLQDDJJAPKT-UHFFFAOYSA-N
MW355.35 g/mol
LogP1.94
Rot. Bonds6

About 2,3,4-trimethoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide

2,3,4-trimethoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide (PubChem CID 2461142) has the molecular formula C17H17N5O4 and a molecular weight of 355.35 g/mol. Its IUPAC name is 2,3,4-trimethoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name2,3,4-trimethoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
PubChem CID2461142
Molecular FormulaC17H17N5O4
Molecular Weight355.35 g/mol
Exact Mass355.13
IUPAC Name2,3,4-trimethoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-n3cnnn3)cc2)c(OC)c1OC
InChIInChI=1S/C17H17N5O4/c1-24-14-9-8-13(15(25-2)16(14)26-3)17(23)19-11-4-6-12(7-5-11)22-10-18-20-21-22/h4-10H,1-3H3,(H,19,23)
InChIKeyNLBCLQDDJJAPKT-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 2,3,4-trimethoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide?
The IUPAC name of 2,3,4-trimethoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide (CID 2461142) is 2,3,4-trimethoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 2,3,4-trimethoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide?
The canonical SMILES for 2,3,4-trimethoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide is COc1ccc(C(=O)Nc2ccc(-n3cnnn3)cc2)c(OC)c1OC.
What is the InChIKey of 2,3,4-trimethoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide?
The InChIKey is NLBCLQDDJJAPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O4/c1-24-14-9-8-13(15(25-2)16(14)26-3)17(23)19-11-4-6-12(7-5-11)22-10-18-20-21-22/h4-10H,1-3H3,(H,19,23).
What are the key properties of 2,3,4-trimethoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide?
2,3,4-trimethoxy-N-[4-(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 2,3,4-trimethoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 2461142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).