3,5-dibromo-2-methoxy-N-(2-propyltetrazol-5-yl)benzamide

C12H13Br2N5O2 — CID 663030

IUPAC3,5-dibromo-2-methoxy-N-(2-propyltetrazol-5-yl)benzamide
SMILESCCCn1nnc(NC(=O)c2cc(Br)cc(Br)c2OC)n1
InChIInChI=1S/C12H13Br2N5O2/c1-3-4-19-17-12(16-18-19)15-11(20)8-5-7(13)6-9(14)10(8)21-2/h5-6H,3-4H2,1-2H3,(H,15,17,20)
InChIKeyUMXYSLQMYKQEEQ-UHFFFAOYSA-N
MW419.08 g/mol
LogP2.87
Rot. Bonds5

About 3,5-dibromo-2-methoxy-N-(2-propyltetrazol-5-yl)benzamide

3,5-dibromo-2-methoxy-N-(2-propyltetrazol-5-yl)benzamide (PubChem CID 663030) has the molecular formula C12H13Br2N5O2 and a molecular weight of 419.08 g/mol. Its IUPAC name is 3,5-dibromo-2-methoxy-N-(2-propyltetrazol-5-yl)benzamide.

Molecular Properties

Compound Name3,5-dibromo-2-methoxy-N-(2-propyltetrazol-5-yl)benzamide
PubChem CID663030
Molecular FormulaC12H13Br2N5O2
Molecular Weight419.08 g/mol
Exact Mass416.94
IUPAC Name3,5-dibromo-2-methoxy-N-(2-propyltetrazol-5-yl)benzamide
SMILESCCCn1nnc(NC(=O)c2cc(Br)cc(Br)c2OC)n1
InChIInChI=1S/C12H13Br2N5O2/c1-3-4-19-17-12(16-18-19)15-11(20)8-5-7(13)6-9(14)10(8)21-2/h5-6H,3-4H2,1-2H3,(H,15,17,20)
InChIKeyUMXYSLQMYKQEEQ-UHFFFAOYSA-N
XLogP2.87
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.08
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3,5-dibromo-2-methoxy-N-(2-propyltetrazol-5-yl)benzamide with MolForge

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

Launch Full Analysis

Related Compounds

Bas 07005712
CID 656143
5-bromo-2-methoxy-N-(2-propyl-2H-tetrazol-5-yl)benzamide
CID 894139
5-bromo-2-methoxy-N-(2-methyltetrazol-5-yl)benzamide
CID 824050
5-bromo-2-methoxy-N-(1-propyl-1H-tetrazol-5-yl)benzamide
CID 892036
N-(3,5-dibromo-2-methoxybenzyl)-2-ethyl-2H-tetrazol-5-amine
CID 39860663
3,5-dibromo-4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)benzamide
CID 14873724
N-(3,5-dibromo-2-methoxybenzyl)-2-propyl-2H-tetrazol-5-amine
CID 39860706
5-bromo-2-methoxy-3-methyl-N-(2-methyl-2H-tetrazol-5-yl)benzamide
CID 953805
5-bromo-N-[(5-bromo-2-methoxy-3-methylphenyl)carbonyl]-2-methoxy-3-methyl-N-(2-propyl-2H-tetrazol-5-yl)benzamide
CID 16467717
3-bromo-4-methoxy-N-(2-propyl-2H-tetrazol-5-yl)benzamide
CID 894210
2-methoxy-N-(2-propyltetrazol-5-yl)benzamide
CID 934910
3,5-dibromo-2-methoxy-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide
CID 1006502

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-2-methoxy-N-(2-propyltetrazol-5-yl)benzamide?
The IUPAC name of 3,5-dibromo-2-methoxy-N-(2-propyltetrazol-5-yl)benzamide (CID 663030) is 3,5-dibromo-2-methoxy-N-(2-propyltetrazol-5-yl)benzamide.
What is the SMILES notation for 3,5-dibromo-2-methoxy-N-(2-propyltetrazol-5-yl)benzamide?
The canonical SMILES for 3,5-dibromo-2-methoxy-N-(2-propyltetrazol-5-yl)benzamide is CCCn1nnc(NC(=O)c2cc(Br)cc(Br)c2OC)n1.
What is the InChIKey of 3,5-dibromo-2-methoxy-N-(2-propyltetrazol-5-yl)benzamide?
The InChIKey is UMXYSLQMYKQEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Br2N5O2/c1-3-4-19-17-12(16-18-19)15-11(20)8-5-7(13)6-9(14)10(8)21-2/h5-6H,3-4H2,1-2H3,(H,15,17,20).
What are the key properties of 3,5-dibromo-2-methoxy-N-(2-propyltetrazol-5-yl)benzamide?
3,5-dibromo-2-methoxy-N-(2-propyltetrazol-5-yl)benzamide has a molecular weight of 419.08 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-2-methoxy-N-(2-propyltetrazol-5-yl)benzamide is sourced from PubChem (CID 663030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).