2-(5-chloro-1-benzofuran-3-yl)-N-(3,4-dimethylphenyl)acetamide

C18H16ClNO2 — CID 18860311

IUPAC2-(5-chloro-1-benzofuran-3-yl)-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cc2coc3ccc(Cl)cc23)cc1C
InChIInChI=1S/C18H16ClNO2/c1-11-3-5-15(7-12(11)2)20-18(21)8-13-10-22-17-6-4-14(19)9-16(13)17/h3-7,9-10H,8H2,1-2H3,(H,20,21)
InChIKeyMFKVRFVENNCNEM-UHFFFAOYSA-N
MW313.78 g/mol
LogP4.88
Rot. Bonds3

About 2-(5-chloro-1-benzofuran-3-yl)-N-(3,4-dimethylphenyl)acetamide

2-(5-chloro-1-benzofuran-3-yl)-N-(3,4-dimethylphenyl)acetamide (PubChem CID 18860311) has the molecular formula C18H16ClNO2 and a molecular weight of 313.78 g/mol. Its IUPAC name is 2-(5-chloro-1-benzofuran-3-yl)-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-1-benzofuran-3-yl)-N-(3,4-dimethylphenyl)acetamide
PubChem CID18860311
Molecular FormulaC18H16ClNO2
Molecular Weight313.78 g/mol
Exact Mass313.09
IUPAC Name2-(5-chloro-1-benzofuran-3-yl)-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cc2coc3ccc(Cl)cc23)cc1C
InChIInChI=1S/C18H16ClNO2/c1-11-3-5-15(7-12(11)2)20-18(21)8-13-10-22-17-6-4-14(19)9-16(13)17/h3-7,9-10H,8H2,1-2H3,(H,20,21)
InChIKeyMFKVRFVENNCNEM-UHFFFAOYSA-N
XLogP4.88
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(5-chloro-1-benzofuran-3-yl)-N-(3,4-dimethylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(3,4-dimethylphenyl)acetamide
CID 16547774
2-(1-benzofuran-3-yl)-N-(3,4-dimethylphenyl)acetamide
CID 110485842
N-(4-acetamido-3-methylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 46550765
2-(5-chloro-1-benzofuran-3-yl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 18860924
N-(4-chlorophenyl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 3952241
2-(5-chloro-1-benzofuran-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 18860950
N-(3-chlorophenyl)-2-(5-fluoro-1-benzofuran-3-yl)acetamide
CID 18860141
N-(3-chloro-4-cyanophenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 18284203
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-fluorophenyl)acetamide
CID 7733151
2-(5-chloro-1-benzofuran-3-yl)-N-naphthalen-1-ylacetamide
CID 18860319
N-butan-2-yl-2-(5-chloro-1-benzofuran-3-yl)acetamide
CID 110488755
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 22830887

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1-benzofuran-3-yl)-N-(3,4-dimethylphenyl)acetamide?
The IUPAC name of 2-(5-chloro-1-benzofuran-3-yl)-N-(3,4-dimethylphenyl)acetamide (CID 18860311) is 2-(5-chloro-1-benzofuran-3-yl)-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(5-chloro-1-benzofuran-3-yl)-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-(5-chloro-1-benzofuran-3-yl)-N-(3,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)Cc2coc3ccc(Cl)cc23)cc1C.
What is the InChIKey of 2-(5-chloro-1-benzofuran-3-yl)-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is MFKVRFVENNCNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO2/c1-11-3-5-15(7-12(11)2)20-18(21)8-13-10-22-17-6-4-14(19)9-16(13)17/h3-7,9-10H,8H2,1-2H3,(H,20,21).
What are the key properties of 2-(5-chloro-1-benzofuran-3-yl)-N-(3,4-dimethylphenyl)acetamide?
2-(5-chloro-1-benzofuran-3-yl)-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 313.78 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1-benzofuran-3-yl)-N-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 18860311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).