1-(2-chlorophenyl)-4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-one

C19H18ClFN6O2 — CID 24578921

IUPAC1-(2-chlorophenyl)-4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-one
SMILESO=C(Cn1nnn(-c2ccccc2Cl)c1=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C19H18ClFN6O2/c20-14-5-1-3-7-16(14)27-19(29)26(22-23-27)13-18(28)25-11-9-24(10-12-25)17-8-4-2-6-15(17)21/h1-8H,9-13H2
InChIKeyAIWUFJZVHNXATA-UHFFFAOYSA-N
MW416.84 g/mol
LogP1.57
Rot. Bonds4

About 1-(2-chlorophenyl)-4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-one

1-(2-chlorophenyl)-4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-one (PubChem CID 24578921) has the molecular formula C19H18ClFN6O2 and a molecular weight of 416.84 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-one
PubChem CID24578921
Molecular FormulaC19H18ClFN6O2
Molecular Weight416.84 g/mol
Exact Mass416.12
IUPAC Name1-(2-chlorophenyl)-4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-one
SMILESO=C(Cn1nnn(-c2ccccc2Cl)c1=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C19H18ClFN6O2/c20-14-5-1-3-7-16(14)27-19(29)26(22-23-27)13-18(28)25-11-9-24(10-12-25)17-8-4-2-6-15(17)21/h1-8H,9-13H2
InChIKeyAIWUFJZVHNXATA-UHFFFAOYSA-N
XLogP1.57
TPSA76.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.84
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-one?
The IUPAC name of 1-(2-chlorophenyl)-4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-one (CID 24578921) is 1-(2-chlorophenyl)-4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-one.
What is the SMILES notation for 1-(2-chlorophenyl)-4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-one?
The canonical SMILES for 1-(2-chlorophenyl)-4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-one is O=C(Cn1nnn(-c2ccccc2Cl)c1=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 1-(2-chlorophenyl)-4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-one?
The InChIKey is AIWUFJZVHNXATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN6O2/c20-14-5-1-3-7-16(14)27-19(29)26(22-23-27)13-18(28)25-11-9-24(10-12-25)17-8-4-2-6-15(17)21/h1-8H,9-13H2.
What are the key properties of 1-(2-chlorophenyl)-4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-one?
1-(2-chlorophenyl)-4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-one has a molecular weight of 416.84 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-one is sourced from PubChem (CID 24578921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).