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

C16H13ClFNO4 — CID 39820182

IUPACN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-fluorophenoxy)acetamide
SMILESO=C(COc1ccccc1F)Nc1cc2c(cc1Cl)OCCO2
InChIInChI=1S/C16H13ClFNO4/c17-10-7-14-15(22-6-5-21-14)8-12(10)19-16(20)9-23-13-4-2-1-3-11(13)18/h1-4,7-8H,5-6,9H2,(H,19,20)
InChIKeyOTXZIIDNIXEDRW-UHFFFAOYSA-N
MW337.73 g/mol
LogP3.27
Rot. Bonds4

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

N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-fluorophenoxy)acetamide (PubChem CID 39820182) has the molecular formula C16H13ClFNO4 and a molecular weight of 337.73 g/mol. Its IUPAC name is N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-fluorophenoxy)acetamide
PubChem CID39820182
Molecular FormulaC16H13ClFNO4
Molecular Weight337.73 g/mol
Exact Mass337.05
IUPAC NameN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-fluorophenoxy)acetamide
SMILESO=C(COc1ccccc1F)Nc1cc2c(cc1Cl)OCCO2
InChIInChI=1S/C16H13ClFNO4/c17-10-7-14-15(22-6-5-21-14)8-12(10)19-16(20)9-23-13-4-2-1-3-11(13)18/h1-4,7-8H,5-6,9H2,(H,19,20)
InChIKeyOTXZIIDNIXEDRW-UHFFFAOYSA-N
XLogP3.27
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.73
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-cyanophenoxy)acetamide
CID 39820178
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2,4-difluorophenoxy)acetamide
CID 36609990
N-(4-chloro-2-fluorophenyl)-2-(2-fluorophenoxy)acetamide
CID 7961385
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 18121971
N-(5-chloro-2-methoxyphenyl)-2-(2-fluorophenoxy)acetamide
CID 2326605
N-(3-amino-4-chlorophenyl)-2-(2-fluorophenoxy)acetamide
CID 16793498
N'-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]-2-(2-fluorophenoxy)acetohydrazide
CID 7809043
N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-(2-fluorophenoxy)acetamide
CID 7433996
2-anilino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
CID 37229265
N-(2-chlorophenyl)-2-(2,4-difluorophenoxy)acetamide
CID 31854987
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(2-methoxyphenyl)acetamide
CID 17413257
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(2,3-dimethylphenoxy)propanamide
CID 39821311

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-fluorophenoxy)acetamide?
The IUPAC name of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-fluorophenoxy)acetamide (CID 39820182) is N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-fluorophenoxy)acetamide.
What is the SMILES notation for N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-fluorophenoxy)acetamide?
The canonical SMILES for N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-fluorophenoxy)acetamide is O=C(COc1ccccc1F)Nc1cc2c(cc1Cl)OCCO2.
What is the InChIKey of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-fluorophenoxy)acetamide?
The InChIKey is OTXZIIDNIXEDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNO4/c17-10-7-14-15(22-6-5-21-14)8-12(10)19-16(20)9-23-13-4-2-1-3-11(13)18/h1-4,7-8H,5-6,9H2,(H,19,20).
What are the key properties of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-fluorophenoxy)acetamide?
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-fluorophenoxy)acetamide has a molecular weight of 337.73 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 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-fluorophenoxy)acetamide is sourced from PubChem (CID 39820182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).