2-bromo-N-[3-(tetrazol-1-yl)phenyl]benzamide

C14H10BrN5O — CID 7711886

IUPAC2-bromo-N-[3-(tetrazol-1-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-n2cnnn2)c1)c1ccccc1Br
InChIInChI=1S/C14H10BrN5O/c15-13-7-2-1-6-12(13)14(21)17-10-4-3-5-11(8-10)20-9-16-18-19-20/h1-9H,(H,17,21)
InChIKeyUVYRRMBIVOQNAI-UHFFFAOYSA-N
MW344.17 g/mol
LogP2.68
Rot. Bonds3

About 2-bromo-N-[3-(tetrazol-1-yl)phenyl]benzamide

2-bromo-N-[3-(tetrazol-1-yl)phenyl]benzamide (PubChem CID 7711886) has the molecular formula C14H10BrN5O and a molecular weight of 344.17 g/mol. Its IUPAC name is 2-bromo-N-[3-(tetrazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[3-(tetrazol-1-yl)phenyl]benzamide
PubChem CID7711886
Molecular FormulaC14H10BrN5O
Molecular Weight344.17 g/mol
Exact Mass343.01
IUPAC Name2-bromo-N-[3-(tetrazol-1-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-n2cnnn2)c1)c1ccccc1Br
InChIInChI=1S/C14H10BrN5O/c15-13-7-2-1-6-12(13)14(21)17-10-4-3-5-11(8-10)20-9-16-18-19-20/h1-9H,(H,17,21)
InChIKeyUVYRRMBIVOQNAI-UHFFFAOYSA-N
XLogP2.68
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.17
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-(tetrazol-1-yl)phenyl]benzamide?
The IUPAC name of 2-bromo-N-[3-(tetrazol-1-yl)phenyl]benzamide (CID 7711886) is 2-bromo-N-[3-(tetrazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 2-bromo-N-[3-(tetrazol-1-yl)phenyl]benzamide?
The canonical SMILES for 2-bromo-N-[3-(tetrazol-1-yl)phenyl]benzamide is O=C(Nc1cccc(-n2cnnn2)c1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[3-(tetrazol-1-yl)phenyl]benzamide?
The InChIKey is UVYRRMBIVOQNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN5O/c15-13-7-2-1-6-12(13)14(21)17-10-4-3-5-11(8-10)20-9-16-18-19-20/h1-9H,(H,17,21).
What are the key properties of 2-bromo-N-[3-(tetrazol-1-yl)phenyl]benzamide?
2-bromo-N-[3-(tetrazol-1-yl)phenyl]benzamide has a molecular weight of 344.17 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-(tetrazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 7711886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).