N-cyclohexyl-3-(2,2,2-trifluoroethoxymethyl)benzamide

C16H20F3NO2 — CID 1223159

IUPACN-cyclohexyl-3-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESO=C(NC1CCCCC1)c1cccc(COCC(F)(F)F)c1
InChIInChI=1S/C16H20F3NO2/c17-16(18,19)11-22-10-12-5-4-6-13(9-12)15(21)20-14-7-2-1-3-8-14/h4-6,9,14H,1-3,7-8,10-11H2,(H,20,21)
InChIKeyBSNMCBNRQQVMIR-UHFFFAOYSA-N
MW315.34 g/mol
LogP3.83
Rot. Bonds5

About N-cyclohexyl-3-(2,2,2-trifluoroethoxymethyl)benzamide

N-cyclohexyl-3-(2,2,2-trifluoroethoxymethyl)benzamide (PubChem CID 1223159) has the molecular formula C16H20F3NO2 and a molecular weight of 315.34 g/mol. Its IUPAC name is N-cyclohexyl-3-(2,2,2-trifluoroethoxymethyl)benzamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(2,2,2-trifluoroethoxymethyl)benzamide
PubChem CID1223159
Molecular FormulaC16H20F3NO2
Molecular Weight315.34 g/mol
Exact Mass315.14
IUPAC NameN-cyclohexyl-3-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESO=C(NC1CCCCC1)c1cccc(COCC(F)(F)F)c1
InChIInChI=1S/C16H20F3NO2/c17-16(18,19)11-22-10-12-5-4-6-13(9-12)15(21)20-14-7-2-1-3-8-14/h4-6,9,14H,1-3,7-8,10-11H2,(H,20,21)
InChIKeyBSNMCBNRQQVMIR-UHFFFAOYSA-N
XLogP3.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(2,2,2-trifluoroethoxymethyl)benzamide?
The IUPAC name of N-cyclohexyl-3-(2,2,2-trifluoroethoxymethyl)benzamide (CID 1223159) is N-cyclohexyl-3-(2,2,2-trifluoroethoxymethyl)benzamide.
What is the SMILES notation for N-cyclohexyl-3-(2,2,2-trifluoroethoxymethyl)benzamide?
The canonical SMILES for N-cyclohexyl-3-(2,2,2-trifluoroethoxymethyl)benzamide is O=C(NC1CCCCC1)c1cccc(COCC(F)(F)F)c1.
What is the InChIKey of N-cyclohexyl-3-(2,2,2-trifluoroethoxymethyl)benzamide?
The InChIKey is BSNMCBNRQQVMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO2/c17-16(18,19)11-22-10-12-5-4-6-13(9-12)15(21)20-14-7-2-1-3-8-14/h4-6,9,14H,1-3,7-8,10-11H2,(H,20,21).
What are the key properties of N-cyclohexyl-3-(2,2,2-trifluoroethoxymethyl)benzamide?
N-cyclohexyl-3-(2,2,2-trifluoroethoxymethyl)benzamide has a molecular weight of 315.34 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(2,2,2-trifluoroethoxymethyl)benzamide is sourced from PubChem (CID 1223159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).