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

C15H11BrClN5O — CID 4793500

IUPAC5-bromo-2-chloro-N-[2-methyl-3-(tetrazol-1-yl)phenyl]benzamide
SMILESCc1c(NC(=O)c2cc(Br)ccc2Cl)cccc1-n1cnnn1
InChIInChI=1S/C15H11BrClN5O/c1-9-13(3-2-4-14(9)22-8-18-20-21-22)19-15(23)11-7-10(16)5-6-12(11)17/h2-8H,1H3,(H,19,23)
InChIKeyHVSYEGGQVORVES-UHFFFAOYSA-N
MW392.64 g/mol
LogP3.64
Rot. Bonds3

About 5-bromo-2-chloro-N-[2-methyl-3-(tetrazol-1-yl)phenyl]benzamide

5-bromo-2-chloro-N-[2-methyl-3-(tetrazol-1-yl)phenyl]benzamide (PubChem CID 4793500) has the molecular formula C15H11BrClN5O and a molecular weight of 392.64 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[2-methyl-3-(tetrazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[2-methyl-3-(tetrazol-1-yl)phenyl]benzamide
PubChem CID4793500
Molecular FormulaC15H11BrClN5O
Molecular Weight392.64 g/mol
Exact Mass390.98
IUPAC Name5-bromo-2-chloro-N-[2-methyl-3-(tetrazol-1-yl)phenyl]benzamide
SMILESCc1c(NC(=O)c2cc(Br)ccc2Cl)cccc1-n1cnnn1
InChIInChI=1S/C15H11BrClN5O/c1-9-13(3-2-4-14(9)22-8-18-20-21-22)19-15(23)11-7-10(16)5-6-12(11)17/h2-8H,1H3,(H,19,23)
InChIKeyHVSYEGGQVORVES-UHFFFAOYSA-N
XLogP3.64
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.64
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[2-methyl-3-(tetrazol-1-yl)phenyl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[2-methyl-3-(tetrazol-1-yl)phenyl]benzamide (CID 4793500) is 5-bromo-2-chloro-N-[2-methyl-3-(tetrazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[2-methyl-3-(tetrazol-1-yl)phenyl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[2-methyl-3-(tetrazol-1-yl)phenyl]benzamide is Cc1c(NC(=O)c2cc(Br)ccc2Cl)cccc1-n1cnnn1.
What is the InChIKey of 5-bromo-2-chloro-N-[2-methyl-3-(tetrazol-1-yl)phenyl]benzamide?
The InChIKey is HVSYEGGQVORVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClN5O/c1-9-13(3-2-4-14(9)22-8-18-20-21-22)19-15(23)11-7-10(16)5-6-12(11)17/h2-8H,1H3,(H,19,23).
What are the key properties of 5-bromo-2-chloro-N-[2-methyl-3-(tetrazol-1-yl)phenyl]benzamide?
5-bromo-2-chloro-N-[2-methyl-3-(tetrazol-1-yl)phenyl]benzamide has a molecular weight of 392.64 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[2-methyl-3-(tetrazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 4793500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).