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

C11H11Br2N5O2 — CID 40607475

IUPAC3,5-dibromo-N-(2-ethyltetrazol-5-yl)-2-methoxybenzamide
SMILESCCn1nnc(NC(=O)c2cc(Br)cc(Br)c2OC)n1
InChIInChI=1S/C11H11Br2N5O2/c1-3-18-16-11(15-17-18)14-10(19)7-4-6(12)5-8(13)9(7)20-2/h4-5H,3H2,1-2H3,(H,14,16,19)
InChIKeyDDNYWZSKHUDJRY-UHFFFAOYSA-N
MW405.05 g/mol
LogP2.48
Rot. Bonds4

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

3,5-dibromo-N-(2-ethyltetrazol-5-yl)-2-methoxybenzamide (PubChem CID 40607475) has the molecular formula C11H11Br2N5O2 and a molecular weight of 405.05 g/mol. Its IUPAC name is 3,5-dibromo-N-(2-ethyltetrazol-5-yl)-2-methoxybenzamide.

Molecular Properties

Compound Name3,5-dibromo-N-(2-ethyltetrazol-5-yl)-2-methoxybenzamide
PubChem CID40607475
Molecular FormulaC11H11Br2N5O2
Molecular Weight405.05 g/mol
Exact Mass402.93
IUPAC Name3,5-dibromo-N-(2-ethyltetrazol-5-yl)-2-methoxybenzamide
SMILESCCn1nnc(NC(=O)c2cc(Br)cc(Br)c2OC)n1
InChIInChI=1S/C11H11Br2N5O2/c1-3-18-16-11(15-17-18)14-10(19)7-4-6(12)5-8(13)9(7)20-2/h4-5H,3H2,1-2H3,(H,14,16,19)
InChIKeyDDNYWZSKHUDJRY-UHFFFAOYSA-N
XLogP2.48
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.05
LogP ≤ 52.48
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-ethyltetrazol-5-yl)-2-methoxybenzamide?
The IUPAC name of 3,5-dibromo-N-(2-ethyltetrazol-5-yl)-2-methoxybenzamide (CID 40607475) is 3,5-dibromo-N-(2-ethyltetrazol-5-yl)-2-methoxybenzamide.
What is the SMILES notation for 3,5-dibromo-N-(2-ethyltetrazol-5-yl)-2-methoxybenzamide?
The canonical SMILES for 3,5-dibromo-N-(2-ethyltetrazol-5-yl)-2-methoxybenzamide is CCn1nnc(NC(=O)c2cc(Br)cc(Br)c2OC)n1.
What is the InChIKey of 3,5-dibromo-N-(2-ethyltetrazol-5-yl)-2-methoxybenzamide?
The InChIKey is DDNYWZSKHUDJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2N5O2/c1-3-18-16-11(15-17-18)14-10(19)7-4-6(12)5-8(13)9(7)20-2/h4-5H,3H2,1-2H3,(H,14,16,19).
What are the key properties of 3,5-dibromo-N-(2-ethyltetrazol-5-yl)-2-methoxybenzamide?
3,5-dibromo-N-(2-ethyltetrazol-5-yl)-2-methoxybenzamide has a molecular weight of 405.05 g/mol, XLogP of 2.48, 4 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-ethyltetrazol-5-yl)-2-methoxybenzamide is sourced from PubChem (CID 40607475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).