2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide

C19H14Cl2F3NO2 — CID 18872134

IUPAC2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
SMILESCc1cc2occ(CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)c2c(C)c1Cl
InChIInChI=1S/C19H14Cl2F3NO2/c1-9-5-15-17(10(2)18(9)21)11(8-27-15)6-16(26)25-14-7-12(19(22,23)24)3-4-13(14)20/h3-5,7-8H,6H2,1-2H3,(H,25,26)
InChIKeyWJUSWPKRQSDHKL-UHFFFAOYSA-N
MW416.23 g/mol
LogP6.56
Rot. Bonds3

About 2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide

2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 18872134) has the molecular formula C19H14Cl2F3NO2 and a molecular weight of 416.23 g/mol. Its IUPAC name is 2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
PubChem CID18872134
Molecular FormulaC19H14Cl2F3NO2
Molecular Weight416.23 g/mol
Exact Mass415.04
IUPAC Name2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
SMILESCc1cc2occ(CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)c2c(C)c1Cl
InChIInChI=1S/C19H14Cl2F3NO2/c1-9-5-15-17(10(2)18(9)21)11(8-27-15)6-16(26)25-14-7-12(19(22,23)24)3-4-13(14)20/h3-5,7-8H,6H2,1-2H3,(H,25,26)
InChIKeyWJUSWPKRQSDHKL-UHFFFAOYSA-N
XLogP6.56
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.23
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-(3,5-dimethylphenyl)acetamide
CID 18872133
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,4-dimethylphenyl)acetamide
CID 100630513
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108806013
N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 113000084
2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-propylacetamide
CID 18872161
N-(1,3-benzodioxol-5-yl)-2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 18872138
N-(2-chloro-5-methylsulfonylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 17414395
N'-[2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)acetyl]-2-fluorobenzohydrazide
CID 18872224
N,N'-bis[2-chloro-5-(trifluoromethyl)phenyl]nonanediamide
CID 54787319
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide
CID 110650696
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,3-dichloro-4-methylsulfonylanilino)acetamide
CID 22307669
2-[(4-chlorophenyl)methylamino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 1286761

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide (CID 18872134) is 2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide is Cc1cc2occ(CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)c2c(C)c1Cl.
What is the InChIKey of 2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is WJUSWPKRQSDHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2F3NO2/c1-9-5-15-17(10(2)18(9)21)11(8-27-15)6-16(26)25-14-7-12(19(22,23)24)3-4-13(14)20/h3-5,7-8H,6H2,1-2H3,(H,25,26).
What are the key properties of 2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 416.23 g/mol, XLogP of 6.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 18872134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).