2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide

C20H21FN6O2 — CID 18228879

IUPAC2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
SMILESO=C(Cn1nnc(-c2cccc(F)c2)n1)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C20H21FN6O2/c21-17-3-1-2-16(12-17)20-23-25-27(24-20)14-19(28)22-18-6-4-15(5-7-18)13-26-8-10-29-11-9-26/h1-7,12H,8-11,13-14H2,(H,22,28)
InChIKeyMDGHMLIZKUFZCX-UHFFFAOYSA-N
MW396.43 g/mol
LogP1.95
Rot. Bonds6

About 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide

2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide (PubChem CID 18228879) has the molecular formula C20H21FN6O2 and a molecular weight of 396.43 g/mol. Its IUPAC name is 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
PubChem CID18228879
Molecular FormulaC20H21FN6O2
Molecular Weight396.43 g/mol
Exact Mass396.17
IUPAC Name2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
SMILESO=C(Cn1nnc(-c2cccc(F)c2)n1)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C20H21FN6O2/c21-17-3-1-2-16(12-17)20-23-25-27(24-20)14-19(28)22-18-6-4-15(5-7-18)13-26-8-10-29-11-9-26/h1-7,12H,8-11,13-14H2,(H,22,28)
InChIKeyMDGHMLIZKUFZCX-UHFFFAOYSA-N
XLogP1.95
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide (CID 18228879) is 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide is O=C(Cn1nnc(-c2cccc(F)c2)n1)Nc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide?
The InChIKey is MDGHMLIZKUFZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6O2/c21-17-3-1-2-16(12-17)20-23-25-27(24-20)14-19(28)22-18-6-4-15(5-7-18)13-26-8-10-29-11-9-26/h1-7,12H,8-11,13-14H2,(H,22,28).
What are the key properties of 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide?
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide has a molecular weight of 396.43 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 18228879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).