N-(2-chloro-4-fluorophenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide

C18H15ClFNO2 — CID 26364046

IUPACN-(2-chloro-4-fluorophenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
SMILESCc1cc2occ(CC(=O)Nc3ccc(F)cc3Cl)c2cc1C
InChIInChI=1S/C18H15ClFNO2/c1-10-5-14-12(9-23-17(14)6-11(10)2)7-18(22)21-16-4-3-13(20)8-15(16)19/h3-6,8-9H,7H2,1-2H3,(H,21,22)
InChIKeyMPISSFJLCLUWRG-UHFFFAOYSA-N
MW331.77 g/mol
LogP5.02
Rot. Bonds3

About N-(2-chloro-4-fluorophenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide

N-(2-chloro-4-fluorophenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide (PubChem CID 26364046) has the molecular formula C18H15ClFNO2 and a molecular weight of 331.77 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
PubChem CID26364046
Molecular FormulaC18H15ClFNO2
Molecular Weight331.77 g/mol
Exact Mass331.08
IUPAC NameN-(2-chloro-4-fluorophenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
SMILESCc1cc2occ(CC(=O)Nc3ccc(F)cc3Cl)c2cc1C
InChIInChI=1S/C18H15ClFNO2/c1-10-5-14-12(9-23-17(14)6-11(10)2)7-18(22)21-16-4-3-13(20)8-15(16)19/h3-6,8-9H,7H2,1-2H3,(H,21,22)
InChIKeyMPISSFJLCLUWRG-UHFFFAOYSA-N
XLogP5.02
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.77
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-fluoro-2-methylphenyl)acetamide
CID 8864750
N-(2-chloro-4-fluorophenyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
CID 26692799
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-chloro-5-methylsulfonylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 17414395
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(2-methoxyphenyl)acetamide
CID 17404145
N-(2,5-dimethylphenyl)-2-(5-fluoro-1-benzofuran-3-yl)acetamide
CID 18860149
N-(4-acetamido-3-methylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 46550765
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-phenylphenyl)acetamide
CID 16546100
N-(3-chloro-4-cyanophenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 18284203
N-(2-chlorophenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 2600753

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide (CID 26364046) is N-(2-chloro-4-fluorophenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide is Cc1cc2occ(CC(=O)Nc3ccc(F)cc3Cl)c2cc1C.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide?
The InChIKey is MPISSFJLCLUWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFNO2/c1-10-5-14-12(9-23-17(14)6-11(10)2)7-18(22)21-16-4-3-13(20)8-15(16)19/h3-6,8-9H,7H2,1-2H3,(H,21,22).
What are the key properties of N-(2-chloro-4-fluorophenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide?
N-(2-chloro-4-fluorophenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide has a molecular weight of 331.77 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 26364046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).