N-(2-ethyltetrazol-5-yl)-2,3,5,6-tetrafluoro-4-methoxybenzamide

C11H9F4N5O2 — CID 17027273

IUPACN-(2-ethyltetrazol-5-yl)-2,3,5,6-tetrafluoro-4-methoxybenzamide
SMILESCCn1nnc(NC(=O)c2c(F)c(F)c(OC)c(F)c2F)n1
InChIInChI=1S/C11H9F4N5O2/c1-3-20-18-11(17-19-20)16-10(21)4-5(12)7(14)9(22-2)8(15)6(4)13/h3H2,1-2H3,(H,16,18,21)
InChIKeyWUNYZSQRWAOHGN-UHFFFAOYSA-N
MW319.22 g/mol
LogP1.51
Rot. Bonds4

About N-(2-ethyltetrazol-5-yl)-2,3,5,6-tetrafluoro-4-methoxybenzamide

N-(2-ethyltetrazol-5-yl)-2,3,5,6-tetrafluoro-4-methoxybenzamide (PubChem CID 17027273) has the molecular formula C11H9F4N5O2 and a molecular weight of 319.22 g/mol. Its IUPAC name is N-(2-ethyltetrazol-5-yl)-2,3,5,6-tetrafluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-(2-ethyltetrazol-5-yl)-2,3,5,6-tetrafluoro-4-methoxybenzamide
PubChem CID17027273
Molecular FormulaC11H9F4N5O2
Molecular Weight319.22 g/mol
Exact Mass319.07
IUPAC NameN-(2-ethyltetrazol-5-yl)-2,3,5,6-tetrafluoro-4-methoxybenzamide
SMILESCCn1nnc(NC(=O)c2c(F)c(F)c(OC)c(F)c2F)n1
InChIInChI=1S/C11H9F4N5O2/c1-3-20-18-11(17-19-20)16-10(21)4-5(12)7(14)9(22-2)8(15)6(4)13/h3H2,1-2H3,(H,16,18,21)
InChIKeyWUNYZSQRWAOHGN-UHFFFAOYSA-N
XLogP1.51
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.22
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyltetrazol-5-yl)-2,3,5,6-tetrafluoro-4-methoxybenzamide?
The IUPAC name of N-(2-ethyltetrazol-5-yl)-2,3,5,6-tetrafluoro-4-methoxybenzamide (CID 17027273) is N-(2-ethyltetrazol-5-yl)-2,3,5,6-tetrafluoro-4-methoxybenzamide.
What is the SMILES notation for N-(2-ethyltetrazol-5-yl)-2,3,5,6-tetrafluoro-4-methoxybenzamide?
The canonical SMILES for N-(2-ethyltetrazol-5-yl)-2,3,5,6-tetrafluoro-4-methoxybenzamide is CCn1nnc(NC(=O)c2c(F)c(F)c(OC)c(F)c2F)n1.
What is the InChIKey of N-(2-ethyltetrazol-5-yl)-2,3,5,6-tetrafluoro-4-methoxybenzamide?
The InChIKey is WUNYZSQRWAOHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F4N5O2/c1-3-20-18-11(17-19-20)16-10(21)4-5(12)7(14)9(22-2)8(15)6(4)13/h3H2,1-2H3,(H,16,18,21).
What are the key properties of N-(2-ethyltetrazol-5-yl)-2,3,5,6-tetrafluoro-4-methoxybenzamide?
N-(2-ethyltetrazol-5-yl)-2,3,5,6-tetrafluoro-4-methoxybenzamide has a molecular weight of 319.22 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyltetrazol-5-yl)-2,3,5,6-tetrafluoro-4-methoxybenzamide is sourced from PubChem (CID 17027273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).