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

C18H17F3N2O2 — CID 71881491

IUPACN-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESCN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1ccc2c(c1)COC2
InChIInChI=1S/C18H17F3N2O2/c1-23(2)16-6-5-14(18(19,20)21)8-15(16)22-17(24)11-3-4-12-9-25-10-13(12)7-11/h3-8H,9-10H2,1-2H3,(H,22,24)
InChIKeyYKEAPDRUYKYIQS-UHFFFAOYSA-N
MW350.34 g/mol
LogP4.05
Rot. Bonds3

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

N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide (PubChem CID 71881491) has the molecular formula C18H17F3N2O2 and a molecular weight of 350.34 g/mol. Its IUPAC name is N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide
PubChem CID71881491
Molecular FormulaC18H17F3N2O2
Molecular Weight350.34 g/mol
Exact Mass350.12
IUPAC NameN-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESCN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1ccc2c(c1)COC2
InChIInChI=1S/C18H17F3N2O2/c1-23(2)16-6-5-14(18(19,20)21)8-15(16)22-17(24)11-3-4-12-9-25-10-13(12)7-11/h3-8H,9-10H2,1-2H3,(H,22,24)
InChIKeyYKEAPDRUYKYIQS-UHFFFAOYSA-N
XLogP4.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-acetamido-5-(trifluoromethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 49163356
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 51152139
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-(2-methylpropanoylamino)benzamide
CID 39095106
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 134000118
4-bromo-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-nitrobenzamide
CID 26181661
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2,6-difluorobenzamide
CID 78778889
1-tert-butyl-3-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]urea
CID 78786564
5-bromo-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 112766862
N-[2-(dimethylamino)-5-fluorophenyl]-4-fluorobenzamide
CID 113092466
N-[7-(dimethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-4-(trifluoromethyl)benzamide
CID 50792045
N-(2-amino-5-methylphenyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 115912217
N-(5-amino-2,4-difluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63732681

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide (CID 71881491) is N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide is CN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1ccc2c(c1)COC2.
What is the InChIKey of N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide?
The InChIKey is YKEAPDRUYKYIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O2/c1-23(2)16-6-5-14(18(19,20)21)8-15(16)22-17(24)11-3-4-12-9-25-10-13(12)7-11/h3-8H,9-10H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide?
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide has a molecular weight of 350.34 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide is sourced from PubChem (CID 71881491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).