3-bromo-4-ethoxy-N-(2-methyltetrazol-5-yl)benzamide

C11H12BrN5O2 — CID 953439

IUPAC3-bromo-4-ethoxy-N-(2-methyltetrazol-5-yl)benzamide
SMILESCCOc1ccc(C(=O)Nc2nnn(C)n2)cc1Br
InChIInChI=1S/C11H12BrN5O2/c1-3-19-9-5-4-7(6-8(9)12)10(18)13-11-14-16-17(2)15-11/h4-6H,3H2,1-2H3,(H,13,15,18)
InChIKeyDFPVXAQKMCRYHZ-UHFFFAOYSA-N
MW326.15 g/mol
LogP1.62
Rot. Bonds4

About 3-bromo-4-ethoxy-N-(2-methyltetrazol-5-yl)benzamide

3-bromo-4-ethoxy-N-(2-methyltetrazol-5-yl)benzamide (PubChem CID 953439) has the molecular formula C11H12BrN5O2 and a molecular weight of 326.15 g/mol. Its IUPAC name is 3-bromo-4-ethoxy-N-(2-methyltetrazol-5-yl)benzamide.

Molecular Properties

Compound Name3-bromo-4-ethoxy-N-(2-methyltetrazol-5-yl)benzamide
PubChem CID953439
Molecular FormulaC11H12BrN5O2
Molecular Weight326.15 g/mol
Exact Mass325.02
IUPAC Name3-bromo-4-ethoxy-N-(2-methyltetrazol-5-yl)benzamide
SMILESCCOc1ccc(C(=O)Nc2nnn(C)n2)cc1Br
InChIInChI=1S/C11H12BrN5O2/c1-3-19-9-5-4-7(6-8(9)12)10(18)13-11-14-16-17(2)15-11/h4-6H,3H2,1-2H3,(H,13,15,18)
InChIKeyDFPVXAQKMCRYHZ-UHFFFAOYSA-N
XLogP1.62
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.15
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-ethoxy-N-(2-methyltetrazol-5-yl)benzamide?
The IUPAC name of 3-bromo-4-ethoxy-N-(2-methyltetrazol-5-yl)benzamide (CID 953439) is 3-bromo-4-ethoxy-N-(2-methyltetrazol-5-yl)benzamide.
What is the SMILES notation for 3-bromo-4-ethoxy-N-(2-methyltetrazol-5-yl)benzamide?
The canonical SMILES for 3-bromo-4-ethoxy-N-(2-methyltetrazol-5-yl)benzamide is CCOc1ccc(C(=O)Nc2nnn(C)n2)cc1Br.
What is the InChIKey of 3-bromo-4-ethoxy-N-(2-methyltetrazol-5-yl)benzamide?
The InChIKey is DFPVXAQKMCRYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN5O2/c1-3-19-9-5-4-7(6-8(9)12)10(18)13-11-14-16-17(2)15-11/h4-6H,3H2,1-2H3,(H,13,15,18).
What are the key properties of 3-bromo-4-ethoxy-N-(2-methyltetrazol-5-yl)benzamide?
3-bromo-4-ethoxy-N-(2-methyltetrazol-5-yl)benzamide has a molecular weight of 326.15 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-ethoxy-N-(2-methyltetrazol-5-yl)benzamide is sourced from PubChem (CID 953439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).