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

C17H13ClN2O4 — CID 39820178

IUPACN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-cyanophenoxy)acetamide
SMILESN#Cc1ccccc1OCC(=O)Nc1cc2c(cc1Cl)OCCO2
InChIInChI=1S/C17H13ClN2O4/c18-12-7-15-16(23-6-5-22-15)8-13(12)20-17(21)10-24-14-4-2-1-3-11(14)9-19/h1-4,7-8H,5-6,10H2,(H,20,21)
InChIKeyDYCIFNUQOJVMEI-UHFFFAOYSA-N
MW344.75 g/mol
LogP3.00
Rot. Bonds4

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

N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-cyanophenoxy)acetamide (PubChem CID 39820178) has the molecular formula C17H13ClN2O4 and a molecular weight of 344.75 g/mol. Its IUPAC name is N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-cyanophenoxy)acetamide.

Molecular Properties

Compound NameN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-cyanophenoxy)acetamide
PubChem CID39820178
Molecular FormulaC17H13ClN2O4
Molecular Weight344.75 g/mol
Exact Mass344.06
IUPAC NameN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-cyanophenoxy)acetamide
SMILESN#Cc1ccccc1OCC(=O)Nc1cc2c(cc1Cl)OCCO2
InChIInChI=1S/C17H13ClN2O4/c18-12-7-15-16(23-6-5-22-15)8-13(12)20-17(21)10-24-14-4-2-1-3-11(14)9-19/h1-4,7-8H,5-6,10H2,(H,20,21)
InChIKeyDYCIFNUQOJVMEI-UHFFFAOYSA-N
XLogP3.00
TPSA80.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.75
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-fluorophenoxy)acetamide
CID 39820182
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2-cyanophenoxy)acetamide
CID 4779757
N-(2-cyanophenyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 4511857
2-[[2-(2-cyanophenoxy)acetyl]amino]benzamide
CID 7560509
N-(4-chloro-2-pyrrol-1-ylphenyl)-2-(2-cyanophenoxy)acetamide
CID 56583342
2-(2-cyanophenoxy)-N-(2-phenylphenyl)acetamide
CID 7696058
2-(2-cyanophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)acetamide
CID 42085793
N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(2-cyanophenoxy)acetamide
CID 26725895
2-anilino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
CID 37229265
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(2-methoxyphenyl)acetamide
CID 17413257
methyl 3-[[2-(2-cyanophenoxy)acetyl]amino]-4-methylbenzoate
CID 7382502
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-cyanophenoxy)acetamide?
The IUPAC name of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-cyanophenoxy)acetamide (CID 39820178) is N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-cyanophenoxy)acetamide.
What is the SMILES notation for N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-cyanophenoxy)acetamide?
The canonical SMILES for N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-cyanophenoxy)acetamide is N#Cc1ccccc1OCC(=O)Nc1cc2c(cc1Cl)OCCO2.
What is the InChIKey of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-cyanophenoxy)acetamide?
The InChIKey is DYCIFNUQOJVMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O4/c18-12-7-15-16(23-6-5-22-15)8-13(12)20-17(21)10-24-14-4-2-1-3-11(14)9-19/h1-4,7-8H,5-6,10H2,(H,20,21).
What are the key properties of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-cyanophenoxy)acetamide?
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-cyanophenoxy)acetamide has a molecular weight of 344.75 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 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-cyanophenoxy)acetamide is sourced from PubChem (CID 39820178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).