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

C20H20F3N5O3 — CID 5295724

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
SMILESCOc1ccc(CCNC(=O)Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)cc1OC
InChIInChI=1S/C20H20F3N5O3/c1-30-16-7-6-13(10-17(16)31-2)8-9-24-18(29)12-28-26-19(25-27-28)14-4-3-5-15(11-14)20(21,22)23/h3-7,10-11H,8-9,12H2,1-2H3,(H,24,29)
InChIKeyUYPKIKXEZFEVBI-UHFFFAOYSA-N
MW435.41 g/mol
LogP2.73
Rot. Bonds8

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

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide (PubChem CID 5295724) has the molecular formula C20H20F3N5O3 and a molecular weight of 435.41 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
PubChem CID5295724
Molecular FormulaC20H20F3N5O3
Molecular Weight435.41 g/mol
Exact Mass435.15
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
SMILESCOc1ccc(CCNC(=O)Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)cc1OC
InChIInChI=1S/C20H20F3N5O3/c1-30-16-7-6-13(10-17(16)31-2)8-9-24-18(29)12-28-26-19(25-27-28)14-4-3-5-15(11-14)20(21,22)23/h3-7,10-11H,8-9,12H2,1-2H3,(H,24,29)
InChIKeyUYPKIKXEZFEVBI-UHFFFAOYSA-N
XLogP2.73
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.41
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 46829156
N-[(4-methoxyphenyl)methyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 2115697
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 16596840
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide
CID 3993067
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-pentan-3-yl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 4795699
2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 18777968
2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1373528
N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 8681591
N-[(3,4-dimethoxyphenyl)methyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 7995467
N-(2,5-dimethylphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 4798319

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide (CID 5295724) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide is COc1ccc(CCNC(=O)Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide?
The InChIKey is UYPKIKXEZFEVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O3/c1-30-16-7-6-13(10-17(16)31-2)8-9-24-18(29)12-28-26-19(25-27-28)14-4-3-5-15(11-14)20(21,22)23/h3-7,10-11H,8-9,12H2,1-2H3,(H,24,29).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide has a molecular weight of 435.41 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide is sourced from PubChem (CID 5295724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).