3-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-1-benzofuran-2-carboxamide

C21H19F3N2O3 — CID 26730475

IUPAC3-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-1-benzofuran-2-carboxamide
SMILESCCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1oc2ccccc2c1C
InChIInChI=1S/C21H19F3N2O3/c1-3-10-26(11-17(27)25-15-9-8-14(22)18(23)19(15)24)21(28)20-12(2)13-6-4-5-7-16(13)29-20/h4-9H,3,10-11H2,1-2H3,(H,25,27)
InChIKeyAYVOPXPPTTYCNJ-UHFFFAOYSA-N
MW404.39 g/mol
LogP4.65
Rot. Bonds6

About 3-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-1-benzofuran-2-carboxamide

3-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-1-benzofuran-2-carboxamide (PubChem CID 26730475) has the molecular formula C21H19F3N2O3 and a molecular weight of 404.39 g/mol. Its IUPAC name is 3-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-1-benzofuran-2-carboxamide
PubChem CID26730475
Molecular FormulaC21H19F3N2O3
Molecular Weight404.39 g/mol
Exact Mass404.13
IUPAC Name3-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-1-benzofuran-2-carboxamide
SMILESCCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1oc2ccccc2c1C
InChIInChI=1S/C21H19F3N2O3/c1-3-10-26(11-17(27)25-15-9-8-14(22)18(23)19(15)24)21(28)20-12(2)13-6-4-5-7-16(13)29-20/h4-9H,3,10-11H2,1-2H3,(H,25,27)
InChIKeyAYVOPXPPTTYCNJ-UHFFFAOYSA-N
XLogP4.65
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3,4-dimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide
CID 112790057
2-ethylsulfonyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide
CID 55382888
4-iodo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide
CID 27773080
N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpyridine-4-carboxamide
CID 27773073
3-(methoxymethyl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1-benzofuran-2-carboxamide
CID 31977010
5-ethoxy-3-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1-benzofuran-2-carboxamide
CID 24980019
2-nitro-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide
CID 51143517
5-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1-phenyl-N-propylpyrazole-3-carboxamide
CID 55755016
3-acetamido-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide
CID 27773105
2-[(2-methylphenyl)methyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 24566253
N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-1,3-benzodioxole-5-carboxamide
CID 27773087
5-[(2-oxo-1-pyridinyl)methyl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylfuran-2-carboxamide
CID 134024450

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-1-benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-1-benzofuran-2-carboxamide (CID 26730475) is 3-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-1-benzofuran-2-carboxamide is CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1oc2ccccc2c1C.
What is the InChIKey of 3-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-1-benzofuran-2-carboxamide?
The InChIKey is AYVOPXPPTTYCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O3/c1-3-10-26(11-17(27)25-15-9-8-14(22)18(23)19(15)24)21(28)20-12(2)13-6-4-5-7-16(13)29-20/h4-9H,3,10-11H2,1-2H3,(H,25,27).
What are the key properties of 3-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-1-benzofuran-2-carboxamide?
3-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-1-benzofuran-2-carboxamide has a molecular weight of 404.39 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 26730475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).