1-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-3-(4-fluorophenyl)urea

C17H17FN6O2 — CID 18565947

IUPAC1-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-3-(4-fluorophenyl)urea
SMILESCCOc1ccc(-n2nnnc2CNC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C17H17FN6O2/c1-2-26-15-9-7-14(8-10-15)24-16(21-22-23-24)11-19-17(25)20-13-5-3-12(18)4-6-13/h3-10H,2,11H2,1H3,(H2,19,20,25)
InChIKeyBFWOOPUMXFUXAI-UHFFFAOYSA-N
MW356.36 g/mol
LogP2.52
Rot. Bonds6

About 1-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-3-(4-fluorophenyl)urea

1-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-3-(4-fluorophenyl)urea (PubChem CID 18565947) has the molecular formula C17H17FN6O2 and a molecular weight of 356.36 g/mol. Its IUPAC name is 1-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-3-(4-fluorophenyl)urea
PubChem CID18565947
Molecular FormulaC17H17FN6O2
Molecular Weight356.36 g/mol
Exact Mass356.14
IUPAC Name1-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-3-(4-fluorophenyl)urea
SMILESCCOc1ccc(-n2nnnc2CNC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C17H17FN6O2/c1-2-26-15-9-7-14(8-10-15)24-16(21-22-23-24)11-19-17(25)20-13-5-3-12(18)4-6-13/h3-10H,2,11H2,1H3,(H2,19,20,25)
InChIKeyBFWOOPUMXFUXAI-UHFFFAOYSA-N
XLogP2.52
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-3-(4-fluorophenyl)urea?
The IUPAC name of 1-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-3-(4-fluorophenyl)urea (CID 18565947) is 1-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-3-(4-fluorophenyl)urea is CCOc1ccc(-n2nnnc2CNC(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of 1-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-3-(4-fluorophenyl)urea?
The InChIKey is BFWOOPUMXFUXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN6O2/c1-2-26-15-9-7-14(8-10-15)24-16(21-22-23-24)11-19-17(25)20-13-5-3-12(18)4-6-13/h3-10H,2,11H2,1H3,(H2,19,20,25).
What are the key properties of 1-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-3-(4-fluorophenyl)urea?
1-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-3-(4-fluorophenyl)urea has a molecular weight of 356.36 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-3-(4-fluorophenyl)urea is sourced from PubChem (CID 18565947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).