N-cyclohexyl-N-methyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide

C17H20F3N5O — CID 3229088

IUPACN-cyclohexyl-N-methyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
SMILESCN(C(=O)Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)C1CCCCC1
InChIInChI=1S/C17H20F3N5O/c1-24(14-8-3-2-4-9-14)15(26)11-25-22-16(21-23-25)12-6-5-7-13(10-12)17(18,19)20/h5-7,10,14H,2-4,8-9,11H2,1H3
InChIKeyWACWFXZNMXPUDX-UHFFFAOYSA-N
MW367.38 g/mol
LogP3.15
Rot. Bonds4

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

N-cyclohexyl-N-methyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide (PubChem CID 3229088) has the molecular formula C17H20F3N5O and a molecular weight of 367.38 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
PubChem CID3229088
Molecular FormulaC17H20F3N5O
Molecular Weight367.38 g/mol
Exact Mass367.16
IUPAC NameN-cyclohexyl-N-methyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
SMILESCN(C(=O)Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)C1CCCCC1
InChIInChI=1S/C17H20F3N5O/c1-24(14-8-3-2-4-9-14)15(26)11-25-22-16(21-23-25)12-6-5-7-13(10-12)17(18,19)20/h5-7,10,14H,2-4,8-9,11H2,1H3
InChIKeyWACWFXZNMXPUDX-UHFFFAOYSA-N
XLogP3.15
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide?
The IUPAC name of N-cyclohexyl-N-methyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide (CID 3229088) is N-cyclohexyl-N-methyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide?
The canonical SMILES for N-cyclohexyl-N-methyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide is CN(C(=O)Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide?
The InChIKey is WACWFXZNMXPUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5O/c1-24(14-8-3-2-4-9-14)15(26)11-25-22-16(21-23-25)12-6-5-7-13(10-12)17(18,19)20/h5-7,10,14H,2-4,8-9,11H2,1H3.
What are the key properties of N-cyclohexyl-N-methyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide?
N-cyclohexyl-N-methyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide has a molecular weight of 367.38 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide is sourced from PubChem (CID 3229088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).