N-methyl-3-(phenoxymethyl)-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide

C19H16F3NO3 — CID 55675605

IUPACN-methyl-3-(phenoxymethyl)-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide
SMILESCN(CC(F)(F)F)C(=O)c1oc2ccccc2c1COc1ccccc1
InChIInChI=1S/C19H16F3NO3/c1-23(12-19(20,21)22)18(24)17-15(11-25-13-7-3-2-4-8-13)14-9-5-6-10-16(14)26-17/h2-10H,11-12H2,1H3
InChIKeyAAKABUROOUUTPH-UHFFFAOYSA-N
MW363.34 g/mol
LogP4.65
Rot. Bonds5

About N-methyl-3-(phenoxymethyl)-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide

N-methyl-3-(phenoxymethyl)-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide (PubChem CID 55675605) has the molecular formula C19H16F3NO3 and a molecular weight of 363.34 g/mol. Its IUPAC name is N-methyl-3-(phenoxymethyl)-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-methyl-3-(phenoxymethyl)-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide
PubChem CID55675605
Molecular FormulaC19H16F3NO3
Molecular Weight363.34 g/mol
Exact Mass363.11
IUPAC NameN-methyl-3-(phenoxymethyl)-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide
SMILESCN(CC(F)(F)F)C(=O)c1oc2ccccc2c1COc1ccccc1
InChIInChI=1S/C19H16F3NO3/c1-23(12-19(20,21)22)18(24)17-15(11-25-13-7-3-2-4-8-13)14-9-5-6-10-16(14)26-17/h2-10H,11-12H2,1H3
InChIKeyAAKABUROOUUTPH-UHFFFAOYSA-N
XLogP4.65
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-anilino-2-oxoethyl)-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 46808303
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 31929309
N,N-bis(2-methoxyethyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 36840872
N-cyclohexyl-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 18287633
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 32517009
3-(phenoxymethyl)-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 7661645
3-[(4-fluorophenoxy)methyl]-1-benzofuran-2-carboxylic acid
CID 28943189
N-methyl-3-(phenoxymethyl)-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide;hydrochloride
CID 119551177
cyanomethyl 3-(phenoxymethyl)-1-benzofuran-2-carboxylate
CID 2644868
N-[3-(methylamino)propyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 119430694
N-methyl-N-[1-(3-nitrophenyl)ethyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 16960532
N-[2-(2-fluorophenyl)ethyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 18204711

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(phenoxymethyl)-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-methyl-3-(phenoxymethyl)-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide (CID 55675605) is N-methyl-3-(phenoxymethyl)-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-methyl-3-(phenoxymethyl)-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-methyl-3-(phenoxymethyl)-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide is CN(CC(F)(F)F)C(=O)c1oc2ccccc2c1COc1ccccc1.
What is the InChIKey of N-methyl-3-(phenoxymethyl)-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide?
The InChIKey is AAKABUROOUUTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3NO3/c1-23(12-19(20,21)22)18(24)17-15(11-25-13-7-3-2-4-8-13)14-9-5-6-10-16(14)26-17/h2-10H,11-12H2,1H3.
What are the key properties of N-methyl-3-(phenoxymethyl)-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide?
N-methyl-3-(phenoxymethyl)-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide has a molecular weight of 363.34 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(phenoxymethyl)-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 55675605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).