2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide

C20H20F3N5O4 — CID 46829156

IUPAC2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(CNC(=O)Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)cc(OC)c1OC
InChIInChI=1S/C20H20F3N5O4/c1-30-15-7-12(8-16(31-2)18(15)32-3)10-24-17(29)11-28-26-19(25-27-28)13-5-4-6-14(9-13)20(21,22)23/h4-9H,10-11H2,1-3H3,(H,24,29)
InChIKeyAVDQADYTRDBFMF-UHFFFAOYSA-N
MW451.41 g/mol
LogP2.70
Rot. Bonds8

About 2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide

2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide (PubChem CID 46829156) has the molecular formula C20H20F3N5O4 and a molecular weight of 451.41 g/mol. Its IUPAC name is 2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
PubChem CID46829156
Molecular FormulaC20H20F3N5O4
Molecular Weight451.41 g/mol
Exact Mass451.15
IUPAC Name2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(CNC(=O)Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)cc(OC)c1OC
InChIInChI=1S/C20H20F3N5O4/c1-30-15-7-12(8-16(31-2)18(15)32-3)10-24-17(29)11-28-26-19(25-27-28)13-5-4-6-14(9-13)20(21,22)23/h4-9H,10-11H2,1-3H3,(H,24,29)
InChIKeyAVDQADYTRDBFMF-UHFFFAOYSA-N
XLogP2.70
TPSA100.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.41
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 2115697
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 5295724
2-[[2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]amino]acetamide
CID 8681717
N,N-dimethyl-2-[[2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]amino]acetamide
CID 9491089
N-[(3,4-dimethoxyphenyl)methyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 7995467
N-pentan-3-yl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 4795699
2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1373528
2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 18777968
N,N-dimethyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 8868431
N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 8681591
methyl 3-[[2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]amino]thiophene-2-carboxylate
CID 2745013
N-[(2R)-heptan-2-yl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 9491097

Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide (CID 46829156) is 2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide is COc1cc(CNC(=O)Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)cc(OC)c1OC.
What is the InChIKey of 2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The InChIKey is AVDQADYTRDBFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O4/c1-30-15-7-12(8-16(31-2)18(15)32-3)10-24-17(29)11-28-26-19(25-27-28)13-5-4-6-14(9-13)20(21,22)23/h4-9H,10-11H2,1-3H3,(H,24,29).
What are the key properties of 2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide has a molecular weight of 451.41 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 46829156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).