N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-[5-(2-fluorophenyl)tetrazol-1-yl]acetamide

C18H16FN5O2 — CID 46262725

IUPACN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-[5-(2-fluorophenyl)tetrazol-1-yl]acetamide
SMILESO=C(Cn1nnnc1-c1ccccc1F)NCC1Cc2ccccc2O1
InChIInChI=1S/C18H16FN5O2/c19-15-7-3-2-6-14(15)18-21-22-23-24(18)11-17(25)20-10-13-9-12-5-1-4-8-16(12)26-13/h1-8,13H,9-11H2,(H,20,25)
InChIKeyZGNPYETXRVCQJV-UHFFFAOYSA-N
MW353.36 g/mol
LogP1.60
Rot. Bonds5

About N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-[5-(2-fluorophenyl)tetrazol-1-yl]acetamide

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-[5-(2-fluorophenyl)tetrazol-1-yl]acetamide (PubChem CID 46262725) has the molecular formula C18H16FN5O2 and a molecular weight of 353.36 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-[5-(2-fluorophenyl)tetrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-[5-(2-fluorophenyl)tetrazol-1-yl]acetamide
PubChem CID46262725
Molecular FormulaC18H16FN5O2
Molecular Weight353.36 g/mol
Exact Mass353.13
IUPAC NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-[5-(2-fluorophenyl)tetrazol-1-yl]acetamide
SMILESO=C(Cn1nnnc1-c1ccccc1F)NCC1Cc2ccccc2O1
InChIInChI=1S/C18H16FN5O2/c19-15-7-3-2-6-14(15)18-21-22-23-24(18)11-17(25)20-10-13-9-12-5-1-4-8-16(12)26-13/h1-8,13H,9-11H2,(H,20,25)
InChIKeyZGNPYETXRVCQJV-UHFFFAOYSA-N
XLogP1.60
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.36
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-[5-(2-fluorophenyl)tetrazol-1-yl]acetamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-[5-(2-fluorophenyl)tetrazol-1-yl]acetamide (CID 46262725) is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-[5-(2-fluorophenyl)tetrazol-1-yl]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-[5-(2-fluorophenyl)tetrazol-1-yl]acetamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-[5-(2-fluorophenyl)tetrazol-1-yl]acetamide is O=C(Cn1nnnc1-c1ccccc1F)NCC1Cc2ccccc2O1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-[5-(2-fluorophenyl)tetrazol-1-yl]acetamide?
The InChIKey is ZGNPYETXRVCQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O2/c19-15-7-3-2-6-14(15)18-21-22-23-24(18)11-17(25)20-10-13-9-12-5-1-4-8-16(12)26-13/h1-8,13H,9-11H2,(H,20,25).
What are the key properties of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-[5-(2-fluorophenyl)tetrazol-1-yl]acetamide?
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-[5-(2-fluorophenyl)tetrazol-1-yl]acetamide has a molecular weight of 353.36 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-[5-(2-fluorophenyl)tetrazol-1-yl]acetamide is sourced from PubChem (CID 46262725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).