4-bromo-N-(2-propyltetrazol-5-yl)benzamide

C11H12BrN5O — CID 894049

IUPAC4-bromo-N-(2-propyltetrazol-5-yl)benzamide
SMILESCCCn1nnc(NC(=O)c2ccc(Br)cc2)n1
InChIInChI=1S/C11H12BrN5O/c1-2-7-17-15-11(14-16-17)13-10(18)8-3-5-9(12)6-4-8/h3-6H,2,7H2,1H3,(H,13,15,18)
InChIKeyFKDQHAJQIZHHAU-UHFFFAOYSA-N
MW310.16 g/mol
LogP2.10
Rot. Bonds4

About 4-bromo-N-(2-propyltetrazol-5-yl)benzamide

4-bromo-N-(2-propyltetrazol-5-yl)benzamide (PubChem CID 894049) has the molecular formula C11H12BrN5O and a molecular weight of 310.16 g/mol. Its IUPAC name is 4-bromo-N-(2-propyltetrazol-5-yl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(2-propyltetrazol-5-yl)benzamide
PubChem CID894049
Molecular FormulaC11H12BrN5O
Molecular Weight310.16 g/mol
Exact Mass309.02
IUPAC Name4-bromo-N-(2-propyltetrazol-5-yl)benzamide
SMILESCCCn1nnc(NC(=O)c2ccc(Br)cc2)n1
InChIInChI=1S/C11H12BrN5O/c1-2-7-17-15-11(14-16-17)13-10(18)8-3-5-9(12)6-4-8/h3-6H,2,7H2,1H3,(H,13,15,18)
InChIKeyFKDQHAJQIZHHAU-UHFFFAOYSA-N
XLogP2.10
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.16
LogP ≤ 52.10
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-propyltetrazol-5-yl)benzamide?
The IUPAC name of 4-bromo-N-(2-propyltetrazol-5-yl)benzamide (CID 894049) is 4-bromo-N-(2-propyltetrazol-5-yl)benzamide.
What is the SMILES notation for 4-bromo-N-(2-propyltetrazol-5-yl)benzamide?
The canonical SMILES for 4-bromo-N-(2-propyltetrazol-5-yl)benzamide is CCCn1nnc(NC(=O)c2ccc(Br)cc2)n1.
What is the InChIKey of 4-bromo-N-(2-propyltetrazol-5-yl)benzamide?
The InChIKey is FKDQHAJQIZHHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN5O/c1-2-7-17-15-11(14-16-17)13-10(18)8-3-5-9(12)6-4-8/h3-6H,2,7H2,1H3,(H,13,15,18).
What are the key properties of 4-bromo-N-(2-propyltetrazol-5-yl)benzamide?
4-bromo-N-(2-propyltetrazol-5-yl)benzamide has a molecular weight of 310.16 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-propyltetrazol-5-yl)benzamide is sourced from PubChem (CID 894049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).