N-cyclobutyl-4,5-dimethoxy-2-methyl-N-(2,2,2-trifluoroethyl)benzamide

C16H20F3NO3 — CID 71856752

IUPACN-cyclobutyl-4,5-dimethoxy-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCOc1cc(C)c(C(=O)N(CC(F)(F)F)C2CCC2)cc1OC
InChIInChI=1S/C16H20F3NO3/c1-10-7-13(22-2)14(23-3)8-12(10)15(21)20(9-16(17,18)19)11-5-4-6-11/h7-8,11H,4-6,9H2,1-3H3
InChIKeyOPQIAYDUSQSKRC-UHFFFAOYSA-N
MW331.33 g/mol
LogP3.57
Rot. Bonds5

About N-cyclobutyl-4,5-dimethoxy-2-methyl-N-(2,2,2-trifluoroethyl)benzamide

N-cyclobutyl-4,5-dimethoxy-2-methyl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 71856752) has the molecular formula C16H20F3NO3 and a molecular weight of 331.33 g/mol. Its IUPAC name is N-cyclobutyl-4,5-dimethoxy-2-methyl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound NameN-cyclobutyl-4,5-dimethoxy-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID71856752
Molecular FormulaC16H20F3NO3
Molecular Weight331.33 g/mol
Exact Mass331.14
IUPAC NameN-cyclobutyl-4,5-dimethoxy-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCOc1cc(C)c(C(=O)N(CC(F)(F)F)C2CCC2)cc1OC
InChIInChI=1S/C16H20F3NO3/c1-10-7-13(22-2)14(23-3)8-12(10)15(21)20(9-16(17,18)19)11-5-4-6-11/h7-8,11H,4-6,9H2,1-3H3
InChIKeyOPQIAYDUSQSKRC-UHFFFAOYSA-N
XLogP3.57
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-4,5-dimethoxy-2-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of N-cyclobutyl-4,5-dimethoxy-2-methyl-N-(2,2,2-trifluoroethyl)benzamide (CID 71856752) is N-cyclobutyl-4,5-dimethoxy-2-methyl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for N-cyclobutyl-4,5-dimethoxy-2-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for N-cyclobutyl-4,5-dimethoxy-2-methyl-N-(2,2,2-trifluoroethyl)benzamide is COc1cc(C)c(C(=O)N(CC(F)(F)F)C2CCC2)cc1OC.
What is the InChIKey of N-cyclobutyl-4,5-dimethoxy-2-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is OPQIAYDUSQSKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO3/c1-10-7-13(22-2)14(23-3)8-12(10)15(21)20(9-16(17,18)19)11-5-4-6-11/h7-8,11H,4-6,9H2,1-3H3.
What are the key properties of N-cyclobutyl-4,5-dimethoxy-2-methyl-N-(2,2,2-trifluoroethyl)benzamide?
N-cyclobutyl-4,5-dimethoxy-2-methyl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 331.33 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-4,5-dimethoxy-2-methyl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 71856752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).