N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-chloro-6-fluorophenyl)acetamide

C16H12Cl2FNO3 — CID 18121971

IUPACN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-chloro-6-fluorophenyl)acetamide
SMILESO=C(Cc1c(F)cccc1Cl)Nc1cc2c(cc1Cl)OCCO2
InChIInChI=1S/C16H12Cl2FNO3/c17-10-2-1-3-12(19)9(10)6-16(21)20-13-8-15-14(7-11(13)18)22-4-5-23-15/h1-3,7-8H,4-6H2,(H,20,21)
InChIKeySHGOJSQLFQSXIZ-UHFFFAOYSA-N
MW356.18 g/mol
LogP4.08
Rot. Bonds3

About N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-chloro-6-fluorophenyl)acetamide

N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-chloro-6-fluorophenyl)acetamide (PubChem CID 18121971) has the molecular formula C16H12Cl2FNO3 and a molecular weight of 356.18 g/mol. Its IUPAC name is N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-chloro-6-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-chloro-6-fluorophenyl)acetamide
PubChem CID18121971
Molecular FormulaC16H12Cl2FNO3
Molecular Weight356.18 g/mol
Exact Mass355.02
IUPAC NameN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-chloro-6-fluorophenyl)acetamide
SMILESO=C(Cc1c(F)cccc1Cl)Nc1cc2c(cc1Cl)OCCO2
InChIInChI=1S/C16H12Cl2FNO3/c17-10-2-1-3-12(19)9(10)6-16(21)20-13-8-15-14(7-11(13)18)22-4-5-23-15/h1-3,7-8H,4-6H2,(H,20,21)
InChIKeySHGOJSQLFQSXIZ-UHFFFAOYSA-N
XLogP4.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.18
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-(2,5-dichlorophenyl)acetamide
CID 7899933
N-(2-chloro-4-fluorophenyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 7959366
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-fluorophenoxy)acetamide
CID 39820182
N-(2-bromo-4-chlorophenyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 81271848
N-(2-bromo-5-chlorophenyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 81271948
N-(4-amino-2-methylphenyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 28933939
N-(4-amino-2,5-dimethylphenyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 103144428
2-(2-chloro-6-fluorophenyl)-N-(2-ethylphenyl)acetamide
CID 839109
N-(2-bromo-4-fluorophenyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 28938648
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2,3-dichlorophenyl)methyl-methylamino]acetamide
CID 24566255
2-(2-chloro-6-fluorophenyl)-N-(4-chlorophenyl)acetamide
CID 9413330
2-amino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide;hydrochloride
CID 119275630

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-chloro-6-fluorophenyl)acetamide?
The IUPAC name of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-chloro-6-fluorophenyl)acetamide (CID 18121971) is N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-chloro-6-fluorophenyl)acetamide.
What is the SMILES notation for N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-chloro-6-fluorophenyl)acetamide?
The canonical SMILES for N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-chloro-6-fluorophenyl)acetamide is O=C(Cc1c(F)cccc1Cl)Nc1cc2c(cc1Cl)OCCO2.
What is the InChIKey of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-chloro-6-fluorophenyl)acetamide?
The InChIKey is SHGOJSQLFQSXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2FNO3/c17-10-2-1-3-12(19)9(10)6-16(21)20-13-8-15-14(7-11(13)18)22-4-5-23-15/h1-3,7-8H,4-6H2,(H,20,21).
What are the key properties of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-chloro-6-fluorophenyl)acetamide?
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-chloro-6-fluorophenyl)acetamide has a molecular weight of 356.18 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-chloro-6-fluorophenyl)acetamide is sourced from PubChem (CID 18121971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).