2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(2-phenylethyl)acetamide

C17H16FN5O — CID 686474

IUPAC2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(2-phenylethyl)acetamide
SMILESO=C(Cn1nnc(-c2ccccc2F)n1)NCCc1ccccc1
InChIInChI=1S/C17H16FN5O/c18-15-9-5-4-8-14(15)17-20-22-23(21-17)12-16(24)19-11-10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,19,24)
InChIKeyKTOSDSUFWFDARX-UHFFFAOYSA-N
MW325.35 g/mol
LogP1.84
Rot. Bonds6

About 2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(2-phenylethyl)acetamide

2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(2-phenylethyl)acetamide (PubChem CID 686474) has the molecular formula C17H16FN5O and a molecular weight of 325.35 g/mol. Its IUPAC name is 2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(2-phenylethyl)acetamide
PubChem CID686474
Molecular FormulaC17H16FN5O
Molecular Weight325.35 g/mol
Exact Mass325.13
IUPAC Name2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(2-phenylethyl)acetamide
SMILESO=C(Cn1nnc(-c2ccccc2F)n1)NCCc1ccccc1
InChIInChI=1S/C17H16FN5O/c18-15-9-5-4-8-14(15)17-20-22-23(21-17)12-16(24)19-11-10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,19,24)
InChIKeyKTOSDSUFWFDARX-UHFFFAOYSA-N
XLogP1.84
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(2-phenylethyl)acetamide (CID 686474) is 2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(2-phenylethyl)acetamide is O=C(Cn1nnc(-c2ccccc2F)n1)NCCc1ccccc1.
What is the InChIKey of 2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(2-phenylethyl)acetamide?
The InChIKey is KTOSDSUFWFDARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O/c18-15-9-5-4-8-14(15)17-20-22-23(21-17)12-16(24)19-11-10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,19,24).
What are the key properties of 2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(2-phenylethyl)acetamide?
2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(2-phenylethyl)acetamide has a molecular weight of 325.35 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 686474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).