2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-methoxyphenyl)acetamide

C18H16ClNO3 — CID 18871993

IUPAC2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)Cc2coc3cc(C)c(Cl)cc23)c1
InChIInChI=1S/C18H16ClNO3/c1-11-6-17-15(9-16(11)19)12(10-23-17)7-18(21)20-13-4-3-5-14(8-13)22-2/h3-6,8-10H,7H2,1-2H3,(H,20,21)
InChIKeyAPLPZYZUUFVHJW-UHFFFAOYSA-N
MW329.78 g/mol
LogP4.58
Rot. Bonds4

About 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-methoxyphenyl)acetamide

2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-methoxyphenyl)acetamide (PubChem CID 18871993) has the molecular formula C18H16ClNO3 and a molecular weight of 329.78 g/mol. Its IUPAC name is 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-methoxyphenyl)acetamide
PubChem CID18871993
Molecular FormulaC18H16ClNO3
Molecular Weight329.78 g/mol
Exact Mass329.08
IUPAC Name2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)Cc2coc3cc(C)c(Cl)cc23)c1
InChIInChI=1S/C18H16ClNO3/c1-11-6-17-15(9-16(11)19)12(10-23-17)7-18(21)20-13-4-3-5-14(8-13)22-2/h3-6,8-10H,7H2,1-2H3,(H,20,21)
InChIKeyAPLPZYZUUFVHJW-UHFFFAOYSA-N
XLogP4.58
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.78
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetylphenyl)-2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetamide
CID 2990500
2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-nitrophenyl)acetamide
CID 18872044
2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 18872055
N-(3-chloro-2-methylphenyl)-2-(5-methoxy-1-benzofuran-3-yl)acetamide
CID 18860265
3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]benzamide
CID 17394423
2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(9-ethylcarbazol-3-yl)acetamide
CID 18871988
2-(6-methoxy-1-benzofuran-3-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 2665602
N-(3-ethynylphenyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 51330083
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(3,4-dimethylphenyl)acetamide
CID 16547774
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(2-methoxyphenyl)acetamide
CID 17404145
2-(5-methoxy-1-benzofuran-3-yl)-N-naphthalen-2-ylacetamide
CID 18860246
2-(hydroxyamino)-N-(3-methoxyphenyl)acetamide
CID 12611733

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-methoxyphenyl)acetamide (CID 18871993) is 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)Cc2coc3cc(C)c(Cl)cc23)c1.
What is the InChIKey of 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-methoxyphenyl)acetamide?
The InChIKey is APLPZYZUUFVHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO3/c1-11-6-17-15(9-16(11)19)12(10-23-17)7-18(21)20-13-4-3-5-14(8-13)22-2/h3-6,8-10H,7H2,1-2H3,(H,20,21).
What are the key properties of 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-methoxyphenyl)acetamide?
2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-methoxyphenyl)acetamide has a molecular weight of 329.78 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 18871993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).