N-(2,3-dichlorophenyl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide

C18H15Cl2NO2 — CID 1243073

IUPACN-(2,3-dichlorophenyl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
SMILESCc1ccc2c(CC(=O)Nc3cccc(Cl)c3Cl)coc2c1C
InChIInChI=1S/C18H15Cl2NO2/c1-10-6-7-13-12(9-23-18(13)11(10)2)8-16(22)21-15-5-3-4-14(19)17(15)20/h3-7,9H,8H2,1-2H3,(H,21,22)
InChIKeyKJCKJDLSEFAQQH-UHFFFAOYSA-N
MW348.23 g/mol
LogP5.54
Rot. Bonds3

About N-(2,3-dichlorophenyl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide

N-(2,3-dichlorophenyl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide (PubChem CID 1243073) has the molecular formula C18H15Cl2NO2 and a molecular weight of 348.23 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
PubChem CID1243073
Molecular FormulaC18H15Cl2NO2
Molecular Weight348.23 g/mol
Exact Mass347.05
IUPAC NameN-(2,3-dichlorophenyl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
SMILESCc1ccc2c(CC(=O)Nc3cccc(Cl)c3Cl)coc2c1C
InChIInChI=1S/C18H15Cl2NO2/c1-10-6-7-13-12(9-23-18(13)11(10)2)8-16(22)21-15-5-3-4-14(19)17(15)20/h3-7,9H,8H2,1-2H3,(H,21,22)
InChIKeyKJCKJDLSEFAQQH-UHFFFAOYSA-N
XLogP5.54
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.23
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-2-fluorophenyl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 9146411
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-isoquinolin-5-ylacetamide
CID 29371500
N'-acetyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetohydrazide
CID 17435910
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-pyridin-2-ylacetamide
CID 23973660
N-tert-butyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 8779926
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 17415366
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide
CID 1285216
N-[4-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 17441796
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)acetamide
CID 48666812
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 112771768
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 27511094
N-(3-chloro-2-methylphenyl)-2-(5-methoxy-1-benzofuran-3-yl)acetamide
CID 18860265

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide (CID 1243073) is N-(2,3-dichlorophenyl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide is Cc1ccc2c(CC(=O)Nc3cccc(Cl)c3Cl)coc2c1C.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide?
The InChIKey is KJCKJDLSEFAQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2NO2/c1-10-6-7-13-12(9-23-18(13)11(10)2)8-16(22)21-15-5-3-4-14(19)17(15)20/h3-7,9H,8H2,1-2H3,(H,21,22).
What are the key properties of N-(2,3-dichlorophenyl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide?
N-(2,3-dichlorophenyl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide has a molecular weight of 348.23 g/mol, XLogP of 5.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 1243073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).