3-chloro-N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]benzamide

C16H13Cl2NO3 — CID 78867495

IUPAC3-chloro-N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]benzamide
SMILESO=C(NCc1cc(Cl)c2c(c1)OCCO2)c1cccc(Cl)c1
InChIInChI=1S/C16H13Cl2NO3/c17-12-3-1-2-11(8-12)16(20)19-9-10-6-13(18)15-14(7-10)21-4-5-22-15/h1-3,6-8H,4-5,9H2,(H,19,20)
InChIKeyVPFDQPLESHEPDD-UHFFFAOYSA-N
MW338.19 g/mol
LogP3.69
Rot. Bonds3

About 3-chloro-N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]benzamide

3-chloro-N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]benzamide (PubChem CID 78867495) has the molecular formula C16H13Cl2NO3 and a molecular weight of 338.19 g/mol. Its IUPAC name is 3-chloro-N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]benzamide
PubChem CID78867495
Molecular FormulaC16H13Cl2NO3
Molecular Weight338.19 g/mol
Exact Mass337.03
IUPAC Name3-chloro-N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]benzamide
SMILESO=C(NCc1cc(Cl)c2c(c1)OCCO2)c1cccc(Cl)c1
InChIInChI=1S/C16H13Cl2NO3/c17-12-3-1-2-11(8-12)16(20)19-9-10-6-13(18)15-14(7-10)21-4-5-22-15/h1-3,6-8H,4-5,9H2,(H,19,20)
InChIKeyVPFDQPLESHEPDD-UHFFFAOYSA-N
XLogP3.69
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-methylbenzamide
CID 9048872
N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(difluoromethoxy)benzamide
CID 9048850
N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(dimethylsulfamoyl)benzamide
CID 17427985
2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-[(3-chlorophenyl)methyl]acetamide
CID 24524666
N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(diethylsulfamoyl)benzamide
CID 31739195
3-chloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide
CID 110787066
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]benzamide
CID 18126425
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-oxo-4-phenylbutanamide
CID 86981002
3-chloro-N'-[(E)-3-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoyl]benzohydrazide
CID 9428053
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 23474775
N-[2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]-2-oxo-1-phenylethyl]benzamide
CID 78865213
3-[[[2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 55876508

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]benzamide?
The IUPAC name of 3-chloro-N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]benzamide (CID 78867495) is 3-chloro-N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]benzamide.
What is the SMILES notation for 3-chloro-N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]benzamide?
The canonical SMILES for 3-chloro-N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]benzamide is O=C(NCc1cc(Cl)c2c(c1)OCCO2)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]benzamide?
The InChIKey is VPFDQPLESHEPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO3/c17-12-3-1-2-11(8-12)16(20)19-9-10-6-13(18)15-14(7-10)21-4-5-22-15/h1-3,6-8H,4-5,9H2,(H,19,20).
What are the key properties of 3-chloro-N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]benzamide?
3-chloro-N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]benzamide has a molecular weight of 338.19 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]benzamide is sourced from PubChem (CID 78867495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).