5-chloro-N-(1-ethyltetrazol-5-yl)-2-methoxybenzamide

C11H12ClN5O2 — CID 925629

IUPAC5-chloro-N-(1-ethyltetrazol-5-yl)-2-methoxybenzamide
SMILESCCn1nnnc1NC(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C11H12ClN5O2/c1-3-17-11(14-15-16-17)13-10(18)8-6-7(12)4-5-9(8)19-2/h4-6H,3H2,1-2H3,(H,13,14,16,18)
InChIKeyHRUFIQAWESSCIG-UHFFFAOYSA-N
MW281.70 g/mol
LogP1.61
Rot. Bonds4

About 5-chloro-N-(1-ethyltetrazol-5-yl)-2-methoxybenzamide

5-chloro-N-(1-ethyltetrazol-5-yl)-2-methoxybenzamide (PubChem CID 925629) has the molecular formula C11H12ClN5O2 and a molecular weight of 281.70 g/mol. Its IUPAC name is 5-chloro-N-(1-ethyltetrazol-5-yl)-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-(1-ethyltetrazol-5-yl)-2-methoxybenzamide
PubChem CID925629
Molecular FormulaC11H12ClN5O2
Molecular Weight281.70 g/mol
Exact Mass281.07
IUPAC Name5-chloro-N-(1-ethyltetrazol-5-yl)-2-methoxybenzamide
SMILESCCn1nnnc1NC(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C11H12ClN5O2/c1-3-17-11(14-15-16-17)13-10(18)8-6-7(12)4-5-9(8)19-2/h4-6H,3H2,1-2H3,(H,13,14,16,18)
InChIKeyHRUFIQAWESSCIG-UHFFFAOYSA-N
XLogP1.61
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.70
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-ethyltetrazol-5-yl)-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-(1-ethyltetrazol-5-yl)-2-methoxybenzamide (CID 925629) is 5-chloro-N-(1-ethyltetrazol-5-yl)-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-(1-ethyltetrazol-5-yl)-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-(1-ethyltetrazol-5-yl)-2-methoxybenzamide is CCn1nnnc1NC(=O)c1cc(Cl)ccc1OC.
What is the InChIKey of 5-chloro-N-(1-ethyltetrazol-5-yl)-2-methoxybenzamide?
The InChIKey is HRUFIQAWESSCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O2/c1-3-17-11(14-15-16-17)13-10(18)8-6-7(12)4-5-9(8)19-2/h4-6H,3H2,1-2H3,(H,13,14,16,18).
What are the key properties of 5-chloro-N-(1-ethyltetrazol-5-yl)-2-methoxybenzamide?
5-chloro-N-(1-ethyltetrazol-5-yl)-2-methoxybenzamide has a molecular weight of 281.70 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-ethyltetrazol-5-yl)-2-methoxybenzamide is sourced from PubChem (CID 925629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).