2,2,2-trifluoro-N-methyl-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]acetamide

C17H20F3N5O — CID 56698004

IUPAC2,2,2-trifluoro-N-methyl-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]acetamide
SMILESCc1ccccc1-n1nnnc1C1(N(C)C(=O)C(F)(F)F)CCCCC1
InChIInChI=1S/C17H20F3N5O/c1-12-8-4-5-9-13(12)25-14(21-22-23-25)16(10-6-3-7-11-16)24(2)15(26)17(18,19)20/h4-5,8-9H,3,6-7,10-11H2,1-2H3
InChIKeyDZAVUUYTCGRHAS-UHFFFAOYSA-N
MW367.38 g/mol
LogP3.15
Rot. Bonds3

About 2,2,2-trifluoro-N-methyl-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]acetamide

2,2,2-trifluoro-N-methyl-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]acetamide (PubChem CID 56698004) has the molecular formula C17H20F3N5O and a molecular weight of 367.38 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]acetamide
PubChem CID56698004
Molecular FormulaC17H20F3N5O
Molecular Weight367.38 g/mol
Exact Mass367.16
IUPAC Name2,2,2-trifluoro-N-methyl-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]acetamide
SMILESCc1ccccc1-n1nnnc1C1(N(C)C(=O)C(F)(F)F)CCCCC1
InChIInChI=1S/C17H20F3N5O/c1-12-8-4-5-9-13(12)25-14(21-22-23-25)16(10-6-3-7-11-16)24(2)15(26)17(18,19)20/h4-5,8-9H,3,6-7,10-11H2,1-2H3
InChIKeyDZAVUUYTCGRHAS-UHFFFAOYSA-N
XLogP3.15
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
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 2,2,2-trifluoro-N-methyl-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]acetamide (CID 56698004) is 2,2,2-trifluoro-N-methyl-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]acetamide is Cc1ccccc1-n1nnnc1C1(N(C)C(=O)C(F)(F)F)CCCCC1.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]acetamide?
The InChIKey is DZAVUUYTCGRHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5O/c1-12-8-4-5-9-13(12)25-14(21-22-23-25)16(10-6-3-7-11-16)24(2)15(26)17(18,19)20/h4-5,8-9H,3,6-7,10-11H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]acetamide?
2,2,2-trifluoro-N-methyl-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]acetamide has a molecular weight of 367.38 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]acetamide is sourced from PubChem (CID 56698004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).