3-cyano-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide

C15H10N6O — CID 70696355

IUPAC3-cyano-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2cccc(-c3nn[nH]n3)c2)c1
InChIInChI=1S/C15H10N6O/c16-9-10-3-1-5-12(7-10)15(22)17-13-6-2-4-11(8-13)14-18-20-21-19-14/h1-8H,(H,17,22)(H,18,19,20,21)
InChIKeyUZBMYIDQVRNGMY-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.99
Rot. Bonds3

About 3-cyano-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide

3-cyano-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide (PubChem CID 70696355) has the molecular formula C15H10N6O and a molecular weight of 290.29 g/mol. Its IUPAC name is 3-cyano-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
PubChem CID70696355
Molecular FormulaC15H10N6O
Molecular Weight290.29 g/mol
Exact Mass290.09
IUPAC Name3-cyano-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2cccc(-c3nn[nH]n3)c2)c1
InChIInChI=1S/C15H10N6O/c16-9-10-3-1-5-12(7-10)15(22)17-13-6-2-4-11(8-13)14-18-20-21-19-14/h1-8H,(H,17,22)(H,18,19,20,21)
InChIKeyUZBMYIDQVRNGMY-UHFFFAOYSA-N
XLogP1.99
TPSA107.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide?
The IUPAC name of 3-cyano-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide (CID 70696355) is 3-cyano-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide.
What is the SMILES notation for 3-cyano-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide?
The canonical SMILES for 3-cyano-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide is N#Cc1cccc(C(=O)Nc2cccc(-c3nn[nH]n3)c2)c1.
What is the InChIKey of 3-cyano-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide?
The InChIKey is UZBMYIDQVRNGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N6O/c16-9-10-3-1-5-12(7-10)15(22)17-13-6-2-4-11(8-13)14-18-20-21-19-14/h1-8H,(H,17,22)(H,18,19,20,21).
What are the key properties of 3-cyano-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide?
3-cyano-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide has a molecular weight of 290.29 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide is sourced from PubChem (CID 70696355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).