2-(2,4-dibromo-6-methylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide

C13H15Br2N5O2 — CID 3333298

IUPAC2-(2,4-dibromo-6-methylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide
SMILESCCCn1nnc(NC(=O)COc2c(C)cc(Br)cc2Br)n1
InChIInChI=1S/C13H15Br2N5O2/c1-3-4-20-18-13(17-19-20)16-11(21)7-22-12-8(2)5-9(14)6-10(12)15/h5-6H,3-4,7H2,1-2H3,(H,16,18,21)
InChIKeySQAHSKKJEUYHRU-UHFFFAOYSA-N
MW433.10 g/mol
LogP2.93
Rot. Bonds6

About 2-(2,4-dibromo-6-methylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide

2-(2,4-dibromo-6-methylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide (PubChem CID 3333298) has the molecular formula C13H15Br2N5O2 and a molecular weight of 433.10 g/mol. Its IUPAC name is 2-(2,4-dibromo-6-methylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dibromo-6-methylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide
PubChem CID3333298
Molecular FormulaC13H15Br2N5O2
Molecular Weight433.10 g/mol
Exact Mass430.96
IUPAC Name2-(2,4-dibromo-6-methylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide
SMILESCCCn1nnc(NC(=O)COc2c(C)cc(Br)cc2Br)n1
InChIInChI=1S/C13H15Br2N5O2/c1-3-4-20-18-13(17-19-20)16-11(21)7-22-12-8(2)5-9(14)6-10(12)15/h5-6H,3-4,7H2,1-2H3,(H,16,18,21)
InChIKeySQAHSKKJEUYHRU-UHFFFAOYSA-N
XLogP2.93
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.10
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2,4-dibromo-6-methylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromo-6-methylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide?
The IUPAC name of 2-(2,4-dibromo-6-methylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide (CID 3333298) is 2-(2,4-dibromo-6-methylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide.
What is the SMILES notation for 2-(2,4-dibromo-6-methylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide?
The canonical SMILES for 2-(2,4-dibromo-6-methylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide is CCCn1nnc(NC(=O)COc2c(C)cc(Br)cc2Br)n1.
What is the InChIKey of 2-(2,4-dibromo-6-methylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide?
The InChIKey is SQAHSKKJEUYHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Br2N5O2/c1-3-4-20-18-13(17-19-20)16-11(21)7-22-12-8(2)5-9(14)6-10(12)15/h5-6H,3-4,7H2,1-2H3,(H,16,18,21).
What are the key properties of 2-(2,4-dibromo-6-methylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide?
2-(2,4-dibromo-6-methylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide has a molecular weight of 433.10 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromo-6-methylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide is sourced from PubChem (CID 3333298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).