3,5-dichloro-N-(1-ethyltetrazol-5-yl)-2-methoxybenzamide

C11H11Cl2N5O2 — CID 957992

IUPAC3,5-dichloro-N-(1-ethyltetrazol-5-yl)-2-methoxybenzamide
SMILESCCn1nnnc1NC(=O)c1cc(Cl)cc(Cl)c1OC
InChIInChI=1S/C11H11Cl2N5O2/c1-3-18-11(15-16-17-18)14-10(19)7-4-6(12)5-8(13)9(7)20-2/h4-5H,3H2,1-2H3,(H,14,15,17,19)
InChIKeyQUPGUECULSKTIV-UHFFFAOYSA-N
MW316.15 g/mol
LogP2.26
Rot. Bonds4

About 3,5-dichloro-N-(1-ethyltetrazol-5-yl)-2-methoxybenzamide

3,5-dichloro-N-(1-ethyltetrazol-5-yl)-2-methoxybenzamide (PubChem CID 957992) has the molecular formula C11H11Cl2N5O2 and a molecular weight of 316.15 g/mol. Its IUPAC name is 3,5-dichloro-N-(1-ethyltetrazol-5-yl)-2-methoxybenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-(1-ethyltetrazol-5-yl)-2-methoxybenzamide
PubChem CID957992
Molecular FormulaC11H11Cl2N5O2
Molecular Weight316.15 g/mol
Exact Mass315.03
IUPAC Name3,5-dichloro-N-(1-ethyltetrazol-5-yl)-2-methoxybenzamide
SMILESCCn1nnnc1NC(=O)c1cc(Cl)cc(Cl)c1OC
InChIInChI=1S/C11H11Cl2N5O2/c1-3-18-11(15-16-17-18)14-10(19)7-4-6(12)5-8(13)9(7)20-2/h4-5H,3H2,1-2H3,(H,14,15,17,19)
InChIKeyQUPGUECULSKTIV-UHFFFAOYSA-N
XLogP2.26
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.15
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(1-ethyltetrazol-5-yl)-2-methoxybenzamide?
The IUPAC name of 3,5-dichloro-N-(1-ethyltetrazol-5-yl)-2-methoxybenzamide (CID 957992) is 3,5-dichloro-N-(1-ethyltetrazol-5-yl)-2-methoxybenzamide.
What is the SMILES notation for 3,5-dichloro-N-(1-ethyltetrazol-5-yl)-2-methoxybenzamide?
The canonical SMILES for 3,5-dichloro-N-(1-ethyltetrazol-5-yl)-2-methoxybenzamide is CCn1nnnc1NC(=O)c1cc(Cl)cc(Cl)c1OC.
What is the InChIKey of 3,5-dichloro-N-(1-ethyltetrazol-5-yl)-2-methoxybenzamide?
The InChIKey is QUPGUECULSKTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N5O2/c1-3-18-11(15-16-17-18)14-10(19)7-4-6(12)5-8(13)9(7)20-2/h4-5H,3H2,1-2H3,(H,14,15,17,19).
What are the key properties of 3,5-dichloro-N-(1-ethyltetrazol-5-yl)-2-methoxybenzamide?
3,5-dichloro-N-(1-ethyltetrazol-5-yl)-2-methoxybenzamide has a molecular weight of 316.15 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(1-ethyltetrazol-5-yl)-2-methoxybenzamide is sourced from PubChem (CID 957992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).