N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide

C17H14FN5O3 — CID 1168118

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide
SMILESO=C(Cn1nnc(-c2ccccc2F)n1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C17H14FN5O3/c18-13-4-2-1-3-12(13)17-20-22-23(21-17)10-16(24)19-11-5-6-14-15(9-11)26-8-7-25-14/h1-6,9H,7-8,10H2,(H,19,24)
InChIKeyBCMZGZIYQPCOGG-UHFFFAOYSA-N
MW355.33 g/mol
LogP1.89
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide (PubChem CID 1168118) has the molecular formula C17H14FN5O3 and a molecular weight of 355.33 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide
PubChem CID1168118
Molecular FormulaC17H14FN5O3
Molecular Weight355.33 g/mol
Exact Mass355.11
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide
SMILESO=C(Cn1nnc(-c2ccccc2F)n1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C17H14FN5O3/c18-13-4-2-1-3-12(13)17-20-22-23(21-17)10-16(24)19-11-5-6-14-15(9-11)26-8-7-25-14/h1-6,9H,7-8,10H2,(H,19,24)
InChIKeyBCMZGZIYQPCOGG-UHFFFAOYSA-N
XLogP1.89
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.33
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide (CID 1168118) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide is O=C(Cn1nnc(-c2ccccc2F)n1)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide?
The InChIKey is BCMZGZIYQPCOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O3/c18-13-4-2-1-3-12(13)17-20-22-23(21-17)10-16(24)19-11-5-6-14-15(9-11)26-8-7-25-14/h1-6,9H,7-8,10H2,(H,19,24).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide has a molecular weight of 355.33 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 1168118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).