N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclopentyl]-2,2,2-trifluoroacetamide

C16H18F3N5O — CID 171981918

IUPACN-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclopentyl]-2,2,2-trifluoroacetamide
SMILESCc1cccc(C)c1-n1nnnc1C1(NC(=O)C(F)(F)F)CCCC1
InChIInChI=1S/C16H18F3N5O/c1-10-6-5-7-11(2)12(10)24-13(21-22-23-24)15(8-3-4-9-15)20-14(25)16(17,18)19/h5-7H,3-4,8-9H2,1-2H3,(H,20,25)
InChIKeySKTAKRMTKJPISI-UHFFFAOYSA-N
MW353.35 g/mol
LogP2.73
Rot. Bonds3

About N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclopentyl]-2,2,2-trifluoroacetamide

N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclopentyl]-2,2,2-trifluoroacetamide (PubChem CID 171981918) has the molecular formula C16H18F3N5O and a molecular weight of 353.35 g/mol. Its IUPAC name is N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclopentyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclopentyl]-2,2,2-trifluoroacetamide
PubChem CID171981918
Molecular FormulaC16H18F3N5O
Molecular Weight353.35 g/mol
Exact Mass353.15
IUPAC NameN-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclopentyl]-2,2,2-trifluoroacetamide
SMILESCc1cccc(C)c1-n1nnnc1C1(NC(=O)C(F)(F)F)CCCC1
InChIInChI=1S/C16H18F3N5O/c1-10-6-5-7-11(2)12(10)24-13(21-22-23-24)15(8-3-4-9-15)20-14(25)16(17,18)19/h5-7H,3-4,8-9H2,1-2H3,(H,20,25)
InChIKeySKTAKRMTKJPISI-UHFFFAOYSA-N
XLogP2.73
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclopentyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclopentyl]-2,2,2-trifluoroacetamide (CID 171981918) is N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclopentyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclopentyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclopentyl]-2,2,2-trifluoroacetamide is Cc1cccc(C)c1-n1nnnc1C1(NC(=O)C(F)(F)F)CCCC1.
What is the InChIKey of N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclopentyl]-2,2,2-trifluoroacetamide?
The InChIKey is SKTAKRMTKJPISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5O/c1-10-6-5-7-11(2)12(10)24-13(21-22-23-24)15(8-3-4-9-15)20-14(25)16(17,18)19/h5-7H,3-4,8-9H2,1-2H3,(H,20,25).
What are the key properties of N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclopentyl]-2,2,2-trifluoroacetamide?
N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclopentyl]-2,2,2-trifluoroacetamide has a molecular weight of 353.35 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclopentyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 171981918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).