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

C19H16ClNO3 — CID 2990500

IUPACN-(3-acetylphenyl)-2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetamide
SMILESCC(=O)c1cccc(NC(=O)Cc2coc3cc(C)c(Cl)cc23)c1
InChIInChI=1S/C19H16ClNO3/c1-11-6-18-16(9-17(11)20)14(10-24-18)8-19(23)21-15-5-3-4-13(7-15)12(2)22/h3-7,9-10H,8H2,1-2H3,(H,21,23)
InChIKeyAGHJUJHRZRZIGI-UHFFFAOYSA-N
MW341.79 g/mol
LogP4.78
Rot. Bonds4

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

N-(3-acetylphenyl)-2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetamide (PubChem CID 2990500) has the molecular formula C19H16ClNO3 and a molecular weight of 341.79 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetamide
PubChem CID2990500
Molecular FormulaC19H16ClNO3
Molecular Weight341.79 g/mol
Exact Mass341.08
IUPAC NameN-(3-acetylphenyl)-2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetamide
SMILESCC(=O)c1cccc(NC(=O)Cc2coc3cc(C)c(Cl)cc23)c1
InChIInChI=1S/C19H16ClNO3/c1-11-6-18-16(9-17(11)20)14(10-24-18)8-19(23)21-15-5-3-4-13(7-15)12(2)22/h3-7,9-10H,8H2,1-2H3,(H,21,23)
InChIKeyAGHJUJHRZRZIGI-UHFFFAOYSA-N
XLogP4.78
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.79
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 7770634
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-(3-methoxyphenyl)acetamide
CID 18871993
N-(3-acetylphenyl)-2-(5-methyl-1-benzofuran-3-yl)acetamide
CID 18872372
2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(9-ethylcarbazol-3-yl)acetamide
CID 18871988
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-(3,4-dimethylphenyl)acetamide
CID 16547774
methyl 3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]benzoate
CID 2676406
2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N,N-dimethylacetamide
CID 2986395
N'-[2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetyl]-2-fluorobenzohydrazide
CID 18872065
N-[(2R)-butan-2-yl]-2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetamide
CID 7393915
N-(4-acetamido-3-methylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 46550765

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetamide (CID 2990500) is N-(3-acetylphenyl)-2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetamide is CC(=O)c1cccc(NC(=O)Cc2coc3cc(C)c(Cl)cc23)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetamide?
The InChIKey is AGHJUJHRZRZIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO3/c1-11-6-18-16(9-17(11)20)14(10-24-18)8-19(23)21-15-5-3-4-13(7-15)12(2)22/h3-7,9-10H,8H2,1-2H3,(H,21,23).
What are the key properties of N-(3-acetylphenyl)-2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetamide?
N-(3-acetylphenyl)-2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetamide has a molecular weight of 341.79 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 2990500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).