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

C12H11F3N6O2 — CID 8681717

IUPAC2-[[2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]amino]acetamide
SMILESNC(=O)CNC(=O)Cn1nnc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C12H11F3N6O2/c13-12(14,15)8-3-1-2-7(4-8)11-18-20-21(19-11)6-10(23)17-5-9(16)22/h1-4H,5-6H2,(H2,16,22)(H,17,23)
InChIKeyGZRCOKWAJBVQKX-UHFFFAOYSA-N
MW328.25 g/mol
LogP-0.04
Rot. Bonds5

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

2-[[2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]amino]acetamide (PubChem CID 8681717) has the molecular formula C12H11F3N6O2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 2-[[2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]amino]acetamide.

Molecular Properties

Compound Name2-[[2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]amino]acetamide
PubChem CID8681717
Molecular FormulaC12H11F3N6O2
Molecular Weight328.25 g/mol
Exact Mass328.09
IUPAC Name2-[[2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]amino]acetamide
SMILESNC(=O)CNC(=O)Cn1nnc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C12H11F3N6O2/c13-12(14,15)8-3-1-2-7(4-8)11-18-20-21(19-11)6-10(23)17-5-9(16)22/h1-4H,5-6H2,(H2,16,22)(H,17,23)
InChIKeyGZRCOKWAJBVQKX-UHFFFAOYSA-N
XLogP-0.04
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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
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,N-dimethyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 8868431
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
N-(3-chloro-2-methylphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 2365775
N-(2-chloro-3-pyridinyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 7844984
1-(4-tert-butylphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone
CID 7844990

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]amino]acetamide?
The IUPAC name of 2-[[2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]amino]acetamide (CID 8681717) is 2-[[2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]amino]acetamide.
What is the SMILES notation for 2-[[2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]amino]acetamide?
The canonical SMILES for 2-[[2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]amino]acetamide is NC(=O)CNC(=O)Cn1nnc(-c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 2-[[2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]amino]acetamide?
The InChIKey is GZRCOKWAJBVQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N6O2/c13-12(14,15)8-3-1-2-7(4-8)11-18-20-21(19-11)6-10(23)17-5-9(16)22/h1-4H,5-6H2,(H2,16,22)(H,17,23).
What are the key properties of 2-[[2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]amino]acetamide?
2-[[2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]amino]acetamide has a molecular weight of 328.25 g/mol, XLogP of -0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]amino]acetamide is sourced from PubChem (CID 8681717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).