2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C11H9ClF3N5O2 — CID 37238121

IUPAC2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1nnn(-c2ccccc2Cl)c1=O)NCC(F)(F)F
InChIInChI=1S/C11H9ClF3N5O2/c12-7-3-1-2-4-8(7)20-10(22)19(17-18-20)5-9(21)16-6-11(13,14)15/h1-4H,5-6H2,(H,16,21)
InChIKeyAYLWFRLTJWSKAP-UHFFFAOYSA-N
MW335.67 g/mol
LogP0.76
Rot. Bonds4

About 2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 37238121) has the molecular formula C11H9ClF3N5O2 and a molecular weight of 335.67 g/mol. Its IUPAC name is 2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID37238121
Molecular FormulaC11H9ClF3N5O2
Molecular Weight335.67 g/mol
Exact Mass335.04
IUPAC Name2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1nnn(-c2ccccc2Cl)c1=O)NCC(F)(F)F
InChIInChI=1S/C11H9ClF3N5O2/c12-7-3-1-2-4-8(7)20-10(22)19(17-18-20)5-9(21)16-6-11(13,14)15/h1-4H,5-6H2,(H,16,21)
InChIKeyAYLWFRLTJWSKAP-UHFFFAOYSA-N
XLogP0.76
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.67
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 37238121) is 2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is O=C(Cn1nnn(-c2ccccc2Cl)c1=O)NCC(F)(F)F.
What is the InChIKey of 2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is AYLWFRLTJWSKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3N5O2/c12-7-3-1-2-4-8(7)20-10(22)19(17-18-20)5-9(21)16-6-11(13,14)15/h1-4H,5-6H2,(H,16,21).
What are the key properties of 2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 335.67 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 37238121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).