N,N-dimethyl-2-[[2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]amino]acetamide

C14H15F3N6O2 — CID 9491089

IUPACN,N-dimethyl-2-[[2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]amino]acetamide
SMILESCN(C)C(=O)CNC(=O)Cn1nnc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C14H15F3N6O2/c1-22(2)12(25)7-18-11(24)8-23-20-13(19-21-23)9-4-3-5-10(6-9)14(15,16)17/h3-6H,7-8H2,1-2H3,(H,18,24)
InChIKeyQGGMDQAZUCNLSP-UHFFFAOYSA-N
MW356.31 g/mol
LogP0.56
Rot. Bonds5

About N,N-dimethyl-2-[[2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]amino]acetamide

N,N-dimethyl-2-[[2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]amino]acetamide (PubChem CID 9491089) has the molecular formula C14H15F3N6O2 and a molecular weight of 356.31 g/mol. Its IUPAC name is N,N-dimethyl-2-[[2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]amino]acetamide
PubChem CID9491089
Molecular FormulaC14H15F3N6O2
Molecular Weight356.31 g/mol
Exact Mass356.12
IUPAC NameN,N-dimethyl-2-[[2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]amino]acetamide
SMILESCN(C)C(=O)CNC(=O)Cn1nnc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C14H15F3N6O2/c1-22(2)12(25)7-18-11(24)8-23-20-13(19-21-23)9-4-3-5-10(6-9)14(15,16)17/h3-6H,7-8H2,1-2H3,(H,18,24)
InChIKeyQGGMDQAZUCNLSP-UHFFFAOYSA-N
XLogP0.56
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.31
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 8868431
2-[[2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]amino]acetamide
CID 8681717
N-pentan-3-yl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 4795699
N-[(4-methoxyphenyl)methyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 2115697
2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 46829156
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 5295724
N-(2,4-dimethylphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 4796992
N-[(2R)-heptan-2-yl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 9491097
N-(2,5-dimethylphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 4798319
1-(4-tert-butylphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone
CID 7844990
N-(3-chloro-2-methylphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 2365775
N-methyl-N-[(2-methylphenyl)methyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 7419862

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]amino]acetamide (CID 9491089) is N,N-dimethyl-2-[[2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]amino]acetamide is CN(C)C(=O)CNC(=O)Cn1nnc(-c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of N,N-dimethyl-2-[[2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]amino]acetamide?
The InChIKey is QGGMDQAZUCNLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N6O2/c1-22(2)12(25)7-18-11(24)8-23-20-13(19-21-23)9-4-3-5-10(6-9)14(15,16)17/h3-6H,7-8H2,1-2H3,(H,18,24).
What are the key properties of N,N-dimethyl-2-[[2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]amino]acetamide?
N,N-dimethyl-2-[[2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]amino]acetamide has a molecular weight of 356.31 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]amino]acetamide is sourced from PubChem (CID 9491089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).