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

C20H18F4N6O2 — CID 16517343

IUPAC2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1nnc(-c2ccc(F)cc2)n1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C20H18F4N6O2/c21-15-4-1-13(2-5-15)19-26-28-30(27-19)12-18(31)25-16-11-14(20(22,23)24)3-6-17(16)29-7-9-32-10-8-29/h1-6,11H,7-10,12H2,(H,25,31)
InChIKeyXGICPSBZMHIBPJ-UHFFFAOYSA-N
MW450.40 g/mol
LogP2.97
Rot. Bonds5

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

2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 16517343) has the molecular formula C20H18F4N6O2 and a molecular weight of 450.40 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
PubChem CID16517343
Molecular FormulaC20H18F4N6O2
Molecular Weight450.40 g/mol
Exact Mass450.14
IUPAC Name2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1nnc(-c2ccc(F)cc2)n1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C20H18F4N6O2/c21-15-4-1-13(2-5-15)19-26-28-30(27-19)12-18(31)25-16-11-14(20(22,23)24)3-6-17(16)29-7-9-32-10-8-29/h1-6,11H,7-10,12H2,(H,25,31)
InChIKeyXGICPSBZMHIBPJ-UHFFFAOYSA-N
XLogP2.97
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-fluorophenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide
CID 1166105
N-(5-fluoro-2-morpholin-4-ylphenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide
CID 46979968
2-(4-fluorophenoxy)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 7892012
2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 16556831
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-morpholin-4-ylphenyl)acetamide
CID 84603667
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7713296
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 24554961
2-(2,3-dihydroindol-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 4818454
N-(5-fluoro-2-morpholin-4-ylphenyl)-4-(trifluoromethyl)benzamide
CID 113092724
1-(2,5-difluorophenyl)-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea
CID 2810757
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-4-oxo-4-phenylbutanamide
CID 108807350
N-(2,5-dimethylphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide
CID 1136633

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide (CID 16517343) is 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide is O=C(Cn1nnc(-c2ccc(F)cc2)n1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1.
What is the InChIKey of 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is XGICPSBZMHIBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F4N6O2/c21-15-4-1-13(2-5-15)19-26-28-30(27-19)12-18(31)25-16-11-14(20(22,23)24)3-6-17(16)29-7-9-32-10-8-29/h1-6,11H,7-10,12H2,(H,25,31).
What are the key properties of 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 450.40 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 16517343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).