N-[3-(trifluoromethyl)cyclohexyl]-2,3-dihydro-1-benzofuran-5-carboxamide

C16H18F3NO2 — CID 86925196

IUPACN-[3-(trifluoromethyl)cyclohexyl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESO=C(NC1CCCC(C(F)(F)F)C1)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H18F3NO2/c17-16(18,19)12-2-1-3-13(9-12)20-15(21)11-4-5-14-10(8-11)6-7-22-14/h4-5,8,12-13H,1-3,6-7,9H2,(H,20,21)
InChIKeyIOWKOUBUTBJALR-UHFFFAOYSA-N
MW313.32 g/mol
LogP3.47
Rot. Bonds2

About N-[3-(trifluoromethyl)cyclohexyl]-2,3-dihydro-1-benzofuran-5-carboxamide

N-[3-(trifluoromethyl)cyclohexyl]-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 86925196) has the molecular formula C16H18F3NO2 and a molecular weight of 313.32 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)cyclohexyl]-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)cyclohexyl]-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID86925196
Molecular FormulaC16H18F3NO2
Molecular Weight313.32 g/mol
Exact Mass313.13
IUPAC NameN-[3-(trifluoromethyl)cyclohexyl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESO=C(NC1CCCC(C(F)(F)F)C1)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H18F3NO2/c17-16(18,19)12-2-1-3-13(9-12)20-15(21)11-4-5-14-10(8-11)6-7-22-14/h4-5,8,12-13H,1-3,6-7,9H2,(H,20,21)
InChIKeyIOWKOUBUTBJALR-UHFFFAOYSA-N
XLogP3.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 71942700
4-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]carbamoyl]benzoic acid
CID 124702556
4-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]benzoic acid
CID 124702550
N-(4-chlorocyclohexyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 114296800
N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]quinoxaline-6-carboxamide
CID 97185005
N-(3-aminocyclopentyl)-3,4-dihydro-2H-chromene-6-carboxamide
CID 115272843
4-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]furan-2,4-dicarboxamide
CID 99783439
N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]pyridine-4-carboxamide
CID 764833
N-[2-(aminomethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 62955860
2-cyclohexyl-1,3-dioxo-N-[3-(trifluoromethyl)cyclohexyl]isoindole-5-carboxamide
CID 55534849
N-(2-bromocyclohexyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 114311850
N-cyclopentyl-4-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethoxy]benzamide
CID 60608783

Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)cyclohexyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-[3-(trifluoromethyl)cyclohexyl]-2,3-dihydro-1-benzofuran-5-carboxamide (CID 86925196) is N-[3-(trifluoromethyl)cyclohexyl]-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-[3-(trifluoromethyl)cyclohexyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-[3-(trifluoromethyl)cyclohexyl]-2,3-dihydro-1-benzofuran-5-carboxamide is O=C(NC1CCCC(C(F)(F)F)C1)c1ccc2c(c1)CCO2.
What is the InChIKey of N-[3-(trifluoromethyl)cyclohexyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is IOWKOUBUTBJALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3NO2/c17-16(18,19)12-2-1-3-13(9-12)20-15(21)11-4-5-14-10(8-11)6-7-22-14/h4-5,8,12-13H,1-3,6-7,9H2,(H,20,21).
What are the key properties of N-[3-(trifluoromethyl)cyclohexyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
N-[3-(trifluoromethyl)cyclohexyl]-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 313.32 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)cyclohexyl]-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 86925196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).