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

C15H12BrN5O — CID 50820809

IUPAC4-bromo-N-[2-methyl-3-(tetrazol-1-yl)phenyl]benzamide
SMILESCc1c(NC(=O)c2ccc(Br)cc2)cccc1-n1cnnn1
InChIInChI=1S/C15H12BrN5O/c1-10-13(3-2-4-14(10)21-9-17-19-20-21)18-15(22)11-5-7-12(16)8-6-11/h2-9H,1H3,(H,18,22)
InChIKeyQDRWERIGZBGGLH-UHFFFAOYSA-N
MW358.20 g/mol
LogP2.99
Rot. Bonds3

About 4-bromo-N-[2-methyl-3-(tetrazol-1-yl)phenyl]benzamide

4-bromo-N-[2-methyl-3-(tetrazol-1-yl)phenyl]benzamide (PubChem CID 50820809) has the molecular formula C15H12BrN5O and a molecular weight of 358.20 g/mol. Its IUPAC name is 4-bromo-N-[2-methyl-3-(tetrazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-methyl-3-(tetrazol-1-yl)phenyl]benzamide
PubChem CID50820809
Molecular FormulaC15H12BrN5O
Molecular Weight358.20 g/mol
Exact Mass357.02
IUPAC Name4-bromo-N-[2-methyl-3-(tetrazol-1-yl)phenyl]benzamide
SMILESCc1c(NC(=O)c2ccc(Br)cc2)cccc1-n1cnnn1
InChIInChI=1S/C15H12BrN5O/c1-10-13(3-2-4-14(10)21-9-17-19-20-21)18-15(22)11-5-7-12(16)8-6-11/h2-9H,1H3,(H,18,22)
InChIKeyQDRWERIGZBGGLH-UHFFFAOYSA-N
XLogP2.99
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.20
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-methyl-3-(tetrazol-1-yl)phenyl]benzamide?
The IUPAC name of 4-bromo-N-[2-methyl-3-(tetrazol-1-yl)phenyl]benzamide (CID 50820809) is 4-bromo-N-[2-methyl-3-(tetrazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-bromo-N-[2-methyl-3-(tetrazol-1-yl)phenyl]benzamide?
The canonical SMILES for 4-bromo-N-[2-methyl-3-(tetrazol-1-yl)phenyl]benzamide is Cc1c(NC(=O)c2ccc(Br)cc2)cccc1-n1cnnn1.
What is the InChIKey of 4-bromo-N-[2-methyl-3-(tetrazol-1-yl)phenyl]benzamide?
The InChIKey is QDRWERIGZBGGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN5O/c1-10-13(3-2-4-14(10)21-9-17-19-20-21)18-15(22)11-5-7-12(16)8-6-11/h2-9H,1H3,(H,18,22).
What are the key properties of 4-bromo-N-[2-methyl-3-(tetrazol-1-yl)phenyl]benzamide?
4-bromo-N-[2-methyl-3-(tetrazol-1-yl)phenyl]benzamide has a molecular weight of 358.20 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-methyl-3-(tetrazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 50820809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).