N-[(4-fluorophenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide

C20H21FN6O2 — CID 1373954

IUPACN-[(4-fluorophenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide
SMILESO=C(Cn1nnc(-c2ccc(N3CCOCC3)cc2)n1)NCc1ccc(F)cc1
InChIInChI=1S/C20H21FN6O2/c21-17-5-1-15(2-6-17)13-22-19(28)14-27-24-20(23-25-27)16-3-7-18(8-4-16)26-9-11-29-12-10-26/h1-8H,9-14H2,(H,22,28)
InChIKeyRGWOTRAZMMOEDW-UHFFFAOYSA-N
MW396.43 g/mol
LogP1.63
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide

N-[(4-fluorophenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide (PubChem CID 1373954) has the molecular formula C20H21FN6O2 and a molecular weight of 396.43 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide
PubChem CID1373954
Molecular FormulaC20H21FN6O2
Molecular Weight396.43 g/mol
Exact Mass396.17
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide
SMILESO=C(Cn1nnc(-c2ccc(N3CCOCC3)cc2)n1)NCc1ccc(F)cc1
InChIInChI=1S/C20H21FN6O2/c21-17-5-1-15(2-6-17)13-22-19(28)14-27-24-20(23-25-27)16-3-7-18(8-4-16)26-9-11-29-12-10-26/h1-8H,9-14H2,(H,22,28)
InChIKeyRGWOTRAZMMOEDW-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide (CID 1373954) is N-[(4-fluorophenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide is O=C(Cn1nnc(-c2ccc(N3CCOCC3)cc2)n1)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide?
The InChIKey is RGWOTRAZMMOEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6O2/c21-17-5-1-15(2-6-17)13-22-19(28)14-27-24-20(23-25-27)16-3-7-18(8-4-16)26-9-11-29-12-10-26/h1-8H,9-14H2,(H,22,28).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide?
N-[(4-fluorophenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide has a molecular weight of 396.43 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 1373954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).