N-[[1-hydroxy-3-(trifluoromethyl)cyclohexyl]methyl]-1-benzofuran-2-carboxamide

C17H18F3NO3 — CID 136534123

IUPACN-[[1-hydroxy-3-(trifluoromethyl)cyclohexyl]methyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCC1(O)CCCC(C(F)(F)F)C1)c1cc2ccccc2o1
InChIInChI=1S/C17H18F3NO3/c18-17(19,20)12-5-3-7-16(23,9-12)10-21-15(22)14-8-11-4-1-2-6-13(11)24-14/h1-2,4,6,8,12,23H,3,5,7,9-10H2,(H,21,22)
InChIKeyWGHCZLPTJFLACA-UHFFFAOYSA-N
MW341.33 g/mol
LogP3.65
Rot. Bonds3

About N-[[1-hydroxy-3-(trifluoromethyl)cyclohexyl]methyl]-1-benzofuran-2-carboxamide

N-[[1-hydroxy-3-(trifluoromethyl)cyclohexyl]methyl]-1-benzofuran-2-carboxamide (PubChem CID 136534123) has the molecular formula C17H18F3NO3 and a molecular weight of 341.33 g/mol. Its IUPAC name is N-[[1-hydroxy-3-(trifluoromethyl)cyclohexyl]methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[[1-hydroxy-3-(trifluoromethyl)cyclohexyl]methyl]-1-benzofuran-2-carboxamide
PubChem CID136534123
Molecular FormulaC17H18F3NO3
Molecular Weight341.33 g/mol
Exact Mass341.12
IUPAC NameN-[[1-hydroxy-3-(trifluoromethyl)cyclohexyl]methyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCC1(O)CCCC(C(F)(F)F)C1)c1cc2ccccc2o1
InChIInChI=1S/C17H18F3NO3/c18-17(19,20)12-5-3-7-16(23,9-12)10-21-15(22)14-8-11-4-1-2-6-13(11)24-14/h1-2,4,6,8,12,23H,3,5,7,9-10H2,(H,21,22)
InChIKeyWGHCZLPTJFLACA-UHFFFAOYSA-N
XLogP3.65
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-hydroxy-3-(trifluoromethyl)cyclohexyl]methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[[1-hydroxy-3-(trifluoromethyl)cyclohexyl]methyl]-1-benzofuran-2-carboxamide (CID 136534123) is N-[[1-hydroxy-3-(trifluoromethyl)cyclohexyl]methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[[1-hydroxy-3-(trifluoromethyl)cyclohexyl]methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[[1-hydroxy-3-(trifluoromethyl)cyclohexyl]methyl]-1-benzofuran-2-carboxamide is O=C(NCC1(O)CCCC(C(F)(F)F)C1)c1cc2ccccc2o1.
What is the InChIKey of N-[[1-hydroxy-3-(trifluoromethyl)cyclohexyl]methyl]-1-benzofuran-2-carboxamide?
The InChIKey is WGHCZLPTJFLACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NO3/c18-17(19,20)12-5-3-7-16(23,9-12)10-21-15(22)14-8-11-4-1-2-6-13(11)24-14/h1-2,4,6,8,12,23H,3,5,7,9-10H2,(H,21,22).
What are the key properties of N-[[1-hydroxy-3-(trifluoromethyl)cyclohexyl]methyl]-1-benzofuran-2-carboxamide?
N-[[1-hydroxy-3-(trifluoromethyl)cyclohexyl]methyl]-1-benzofuran-2-carboxamide has a molecular weight of 341.33 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-hydroxy-3-(trifluoromethyl)cyclohexyl]methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 136534123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).