3,5-dibromo-N-(2-butyltetrazol-5-yl)-2-methoxybenzamide

C13H15Br2N5O2 — CID 5141692

IUPAC3,5-dibromo-N-(2-butyltetrazol-5-yl)-2-methoxybenzamide
SMILESCCCCn1nnc(NC(=O)c2cc(Br)cc(Br)c2OC)n1
InChIInChI=1S/C13H15Br2N5O2/c1-3-4-5-20-18-13(17-19-20)16-12(21)9-6-8(14)7-10(15)11(9)22-2/h6-7H,3-5H2,1-2H3,(H,16,18,21)
InChIKeyARCINMPRMYUFFZ-UHFFFAOYSA-N
MW433.10 g/mol
LogP3.26
Rot. Bonds6

About 3,5-dibromo-N-(2-butyltetrazol-5-yl)-2-methoxybenzamide

3,5-dibromo-N-(2-butyltetrazol-5-yl)-2-methoxybenzamide (PubChem CID 5141692) has the molecular formula C13H15Br2N5O2 and a molecular weight of 433.10 g/mol. Its IUPAC name is 3,5-dibromo-N-(2-butyltetrazol-5-yl)-2-methoxybenzamide.

Molecular Properties

Compound Name3,5-dibromo-N-(2-butyltetrazol-5-yl)-2-methoxybenzamide
PubChem CID5141692
Molecular FormulaC13H15Br2N5O2
Molecular Weight433.10 g/mol
Exact Mass430.96
IUPAC Name3,5-dibromo-N-(2-butyltetrazol-5-yl)-2-methoxybenzamide
SMILESCCCCn1nnc(NC(=O)c2cc(Br)cc(Br)c2OC)n1
InChIInChI=1S/C13H15Br2N5O2/c1-3-4-5-20-18-13(17-19-20)16-12(21)9-6-8(14)7-10(15)11(9)22-2/h6-7H,3-5H2,1-2H3,(H,16,18,21)
InChIKeyARCINMPRMYUFFZ-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Bas 07005712
CID 656143
3,5-dibromo-2-methoxy-N-(2-propyltetrazol-5-yl)benzamide
CID 663030
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

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-(2-butyltetrazol-5-yl)-2-methoxybenzamide?
The IUPAC name of 3,5-dibromo-N-(2-butyltetrazol-5-yl)-2-methoxybenzamide (CID 5141692) is 3,5-dibromo-N-(2-butyltetrazol-5-yl)-2-methoxybenzamide.
What is the SMILES notation for 3,5-dibromo-N-(2-butyltetrazol-5-yl)-2-methoxybenzamide?
The canonical SMILES for 3,5-dibromo-N-(2-butyltetrazol-5-yl)-2-methoxybenzamide is CCCCn1nnc(NC(=O)c2cc(Br)cc(Br)c2OC)n1.
What is the InChIKey of 3,5-dibromo-N-(2-butyltetrazol-5-yl)-2-methoxybenzamide?
The InChIKey is ARCINMPRMYUFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Br2N5O2/c1-3-4-5-20-18-13(17-19-20)16-12(21)9-6-8(14)7-10(15)11(9)22-2/h6-7H,3-5H2,1-2H3,(H,16,18,21).
What are the key properties of 3,5-dibromo-N-(2-butyltetrazol-5-yl)-2-methoxybenzamide?
3,5-dibromo-N-(2-butyltetrazol-5-yl)-2-methoxybenzamide has a molecular weight of 433.10 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-(2-butyltetrazol-5-yl)-2-methoxybenzamide is sourced from PubChem (CID 5141692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).