2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-[4-(morpholine-4-carbonyl)phenyl]acetamide

C20H19FN6O3 — CID 2224231

IUPAC2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-[4-(morpholine-4-carbonyl)phenyl]acetamide
SMILESO=C(Cn1nnc(-c2ccccc2F)n1)Nc1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H19FN6O3/c21-17-4-2-1-3-16(17)19-23-25-27(24-19)13-18(28)22-15-7-5-14(6-8-15)20(29)26-9-11-30-12-10-26/h1-8H,9-13H2,(H,22,28)
InChIKeyYAVDLTHIFWEDHS-UHFFFAOYSA-N
MW410.41 g/mol
LogP1.59
Rot. Bonds5

About 2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-[4-(morpholine-4-carbonyl)phenyl]acetamide

2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-[4-(morpholine-4-carbonyl)phenyl]acetamide (PubChem CID 2224231) has the molecular formula C20H19FN6O3 and a molecular weight of 410.41 g/mol. Its IUPAC name is 2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-[4-(morpholine-4-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-[4-(morpholine-4-carbonyl)phenyl]acetamide
PubChem CID2224231
Molecular FormulaC20H19FN6O3
Molecular Weight410.41 g/mol
Exact Mass410.15
IUPAC Name2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-[4-(morpholine-4-carbonyl)phenyl]acetamide
SMILESO=C(Cn1nnc(-c2ccccc2F)n1)Nc1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H19FN6O3/c21-17-4-2-1-3-16(17)19-23-25-27(24-19)13-18(28)22-15-7-5-14(6-8-15)20(29)26-9-11-30-12-10-26/h1-8H,9-13H2,(H,22,28)
InChIKeyYAVDLTHIFWEDHS-UHFFFAOYSA-N
XLogP1.59
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.41
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-[4-(morpholine-4-carbonyl)phenyl]acetamide?
The IUPAC name of 2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-[4-(morpholine-4-carbonyl)phenyl]acetamide (CID 2224231) is 2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-[4-(morpholine-4-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-[4-(morpholine-4-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-[4-(morpholine-4-carbonyl)phenyl]acetamide is O=C(Cn1nnc(-c2ccccc2F)n1)Nc1ccc(C(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-[4-(morpholine-4-carbonyl)phenyl]acetamide?
The InChIKey is YAVDLTHIFWEDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O3/c21-17-4-2-1-3-16(17)19-23-25-27(24-19)13-18(28)22-15-7-5-14(6-8-15)20(29)26-9-11-30-12-10-26/h1-8H,9-13H2,(H,22,28).
What are the key properties of 2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-[4-(morpholine-4-carbonyl)phenyl]acetamide?
2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-[4-(morpholine-4-carbonyl)phenyl]acetamide has a molecular weight of 410.41 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-[4-(morpholine-4-carbonyl)phenyl]acetamide is sourced from PubChem (CID 2224231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).