4,5-dimethoxy-N-(4-methylphenyl)-2-(tetrazol-1-yl)benzamide

C17H17N5O3 — CID 863010

IUPAC4,5-dimethoxy-N-(4-methylphenyl)-2-(tetrazol-1-yl)benzamide
SMILESCOc1cc(C(=O)Nc2ccc(C)cc2)c(-n2cnnn2)cc1OC
InChIInChI=1S/C17H17N5O3/c1-11-4-6-12(7-5-11)19-17(23)13-8-15(24-2)16(25-3)9-14(13)22-10-18-20-21-22/h4-10H,1-3H3,(H,19,23)
InChIKeyRQOJOMANVBHEAZ-UHFFFAOYSA-N
MW339.36 g/mol
LogP2.24
Rot. Bonds5

About 4,5-dimethoxy-N-(4-methylphenyl)-2-(tetrazol-1-yl)benzamide

4,5-dimethoxy-N-(4-methylphenyl)-2-(tetrazol-1-yl)benzamide (PubChem CID 863010) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is 4,5-dimethoxy-N-(4-methylphenyl)-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name4,5-dimethoxy-N-(4-methylphenyl)-2-(tetrazol-1-yl)benzamide
PubChem CID863010
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC Name4,5-dimethoxy-N-(4-methylphenyl)-2-(tetrazol-1-yl)benzamide
SMILESCOc1cc(C(=O)Nc2ccc(C)cc2)c(-n2cnnn2)cc1OC
InChIInChI=1S/C17H17N5O3/c1-11-4-6-12(7-5-11)19-17(23)13-8-15(24-2)16(25-3)9-14(13)22-10-18-20-21-22/h4-10H,1-3H3,(H,19,23)
InChIKeyRQOJOMANVBHEAZ-UHFFFAOYSA-N
XLogP2.24
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-N-(4-methylphenyl)-2-(tetrazol-1-yl)benzamide?
The IUPAC name of 4,5-dimethoxy-N-(4-methylphenyl)-2-(tetrazol-1-yl)benzamide (CID 863010) is 4,5-dimethoxy-N-(4-methylphenyl)-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 4,5-dimethoxy-N-(4-methylphenyl)-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for 4,5-dimethoxy-N-(4-methylphenyl)-2-(tetrazol-1-yl)benzamide is COc1cc(C(=O)Nc2ccc(C)cc2)c(-n2cnnn2)cc1OC.
What is the InChIKey of 4,5-dimethoxy-N-(4-methylphenyl)-2-(tetrazol-1-yl)benzamide?
The InChIKey is RQOJOMANVBHEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-11-4-6-12(7-5-11)19-17(23)13-8-15(24-2)16(25-3)9-14(13)22-10-18-20-21-22/h4-10H,1-3H3,(H,19,23).
What are the key properties of 4,5-dimethoxy-N-(4-methylphenyl)-2-(tetrazol-1-yl)benzamide?
4,5-dimethoxy-N-(4-methylphenyl)-2-(tetrazol-1-yl)benzamide has a molecular weight of 339.36 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-N-(4-methylphenyl)-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 863010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).