N-(3,5-dichlorophenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide

C17H13Cl2NO2 — CID 3968592

IUPACN-(3,5-dichlorophenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
SMILESCc1ccc2c(CC(=O)Nc3cc(Cl)cc(Cl)c3)coc2c1
InChIInChI=1S/C17H13Cl2NO2/c1-10-2-3-15-11(9-22-16(15)4-10)5-17(21)20-14-7-12(18)6-13(19)8-14/h2-4,6-9H,5H2,1H3,(H,20,21)
InChIKeyRCSWDGVJIIHOBG-UHFFFAOYSA-N
MW334.20 g/mol
LogP5.23
Rot. Bonds3

About N-(3,5-dichlorophenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide

N-(3,5-dichlorophenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide (PubChem CID 3968592) has the molecular formula C17H13Cl2NO2 and a molecular weight of 334.20 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
PubChem CID3968592
Molecular FormulaC17H13Cl2NO2
Molecular Weight334.20 g/mol
Exact Mass333.03
IUPAC NameN-(3,5-dichlorophenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
SMILESCc1ccc2c(CC(=O)Nc3cc(Cl)cc(Cl)c3)coc2c1
InChIInChI=1S/C17H13Cl2NO2/c1-10-2-3-15-11(9-22-16(15)4-10)5-17(21)20-14-7-12(18)6-13(19)8-14/h2-4,6-9H,5H2,1H3,(H,20,21)
InChIKeyRCSWDGVJIIHOBG-UHFFFAOYSA-N
XLogP5.23
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.20
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chlorophenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 2600753
N-[3,5-bis(trifluoromethyl)phenyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 7926545
2-(6-methyl-1-benzofuran-3-yl)-N-(1H-pyrazol-5-yl)acetamide
CID 61393726
2-[4-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]phenyl]acetamide
CID 31856404
N-(2-chloro-4,6-dimethylphenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 3946698
N-[5-chloro-2-(dimethylamino)phenyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 55336509
2-(6-methyl-1-benzofuran-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 6460690
N-(2-chloro-4,5-dimethoxyphenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 17444398
N-[4-(difluoromethylsulfanyl)phenyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 7944860
methyl 3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]benzoate
CID 2676406
N-[4-(dimethylsulfamoyl)phenyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 4875706
2-(6-methyl-1-benzofuran-3-yl)-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 17456098

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide (CID 3968592) is N-(3,5-dichlorophenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide is Cc1ccc2c(CC(=O)Nc3cc(Cl)cc(Cl)c3)coc2c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide?
The InChIKey is RCSWDGVJIIHOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2NO2/c1-10-2-3-15-11(9-22-16(15)4-10)5-17(21)20-14-7-12(18)6-13(19)8-14/h2-4,6-9H,5H2,1H3,(H,20,21).
What are the key properties of N-(3,5-dichlorophenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide?
N-(3,5-dichlorophenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide has a molecular weight of 334.20 g/mol, XLogP of 5.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 3968592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).