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

C18H17NO2 — CID 110485842

IUPAC2-(1-benzofuran-3-yl)-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cc2coc3ccccc23)cc1C
InChIInChI=1S/C18H17NO2/c1-12-7-8-15(9-13(12)2)19-18(20)10-14-11-21-17-6-4-3-5-16(14)17/h3-9,11H,10H2,1-2H3,(H,19,20)
InChIKeyKTBHTUAXVZWTRL-UHFFFAOYSA-N
MW279.34 g/mol
LogP4.23
Rot. Bonds3

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

2-(1-benzofuran-3-yl)-N-(3,4-dimethylphenyl)acetamide (PubChem CID 110485842) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(1-benzofuran-3-yl)-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-benzofuran-3-yl)-N-(3,4-dimethylphenyl)acetamide
PubChem CID110485842
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name2-(1-benzofuran-3-yl)-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cc2coc3ccccc23)cc1C
InChIInChI=1S/C18H17NO2/c1-12-7-8-15(9-13(12)2)19-18(20)10-14-11-21-17-6-4-3-5-16(14)17/h3-9,11H,10H2,1-2H3,(H,19,20)
InChIKeyKTBHTUAXVZWTRL-UHFFFAOYSA-N
XLogP4.23
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(3,4-dimethylphenyl)acetamide
CID 16547774
2-(5-chloro-1-benzofuran-3-yl)-N-(3,4-dimethylphenyl)acetamide
CID 18860311
2-(1-benzofuran-3-yl)-N-(3-fluorophenyl)acetamide
CID 110862760
N-(4-acetamido-3-methylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 46550765
N-(3,4-dimethylphenyl)-4-oxochromene-3-carboxamide
CID 132941421
2-(5-methyl-1-benzofuran-3-yl)-N-phenylacetamide
CID 18860446
N-(3-acetylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 7770634
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-fluorophenyl)acetamide
CID 7733151
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(2-methylphenyl)acetamide
CID 7946686
N,2-bis(3,4-dimethylphenyl)acetamide
CID 2600237
2-(1-benzofuran-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 110463883
N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 7925136

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-3-yl)-N-(3,4-dimethylphenyl)acetamide?
The IUPAC name of 2-(1-benzofuran-3-yl)-N-(3,4-dimethylphenyl)acetamide (CID 110485842) is 2-(1-benzofuran-3-yl)-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(1-benzofuran-3-yl)-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-(1-benzofuran-3-yl)-N-(3,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)Cc2coc3ccccc23)cc1C.
What is the InChIKey of 2-(1-benzofuran-3-yl)-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is KTBHTUAXVZWTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-12-7-8-15(9-13(12)2)19-18(20)10-14-11-21-17-6-4-3-5-16(14)17/h3-9,11H,10H2,1-2H3,(H,19,20).
What are the key properties of 2-(1-benzofuran-3-yl)-N-(3,4-dimethylphenyl)acetamide?
2-(1-benzofuran-3-yl)-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 279.34 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-3-yl)-N-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 110485842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).