2-chloro-N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-2-phenylacetamide

C17H15Cl2NO3 — CID 110274497

IUPAC2-chloro-N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-2-phenylacetamide
SMILESO=C(NCc1cc(Cl)cc2c1OCOC2)C(Cl)c1ccccc1
InChIInChI=1S/C17H15Cl2NO3/c18-14-6-12(16-13(7-14)9-22-10-23-16)8-20-17(21)15(19)11-4-2-1-3-5-11/h1-7,15H,8-10H2,(H,20,21)
InChIKeyWWAPAOZRRXRCNN-UHFFFAOYSA-N
MW352.22 g/mol
LogP3.80
Rot. Bonds4

About 2-chloro-N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-2-phenylacetamide

2-chloro-N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-2-phenylacetamide (PubChem CID 110274497) has the molecular formula C17H15Cl2NO3 and a molecular weight of 352.22 g/mol. Its IUPAC name is 2-chloro-N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-2-phenylacetamide
PubChem CID110274497
Molecular FormulaC17H15Cl2NO3
Molecular Weight352.22 g/mol
Exact Mass351.04
IUPAC Name2-chloro-N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-2-phenylacetamide
SMILESO=C(NCc1cc(Cl)cc2c1OCOC2)C(Cl)c1ccccc1
InChIInChI=1S/C17H15Cl2NO3/c18-14-6-12(16-13(7-14)9-22-10-23-16)8-20-17(21)15(19)11-4-2-1-3-5-11/h1-7,15H,8-10H2,(H,20,21)
InChIKeyWWAPAOZRRXRCNN-UHFFFAOYSA-N
XLogP3.80
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.22
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]aniline
CID 2803798
(6-chloro-4H-1,3-benzodioxin-8-yl)methyl 3-benzamido-3-phenylpropanoate
CID 42970741
N-[2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]phenyl]-3,3-dimethylbutanamide
CID 10173061
(6-chloro-4H-1,3-benzodioxin-8-yl)methanol
CID 16770161
2-chloro-N-[(2,5-difluorophenyl)methyl]-2-phenylacetamide
CID 63795872
(6-chloro-4H-1,3-benzodioxin-8-yl)methyl (2R)-2-phenyl-2-pyrazol-1-ylacetate
CID 97014707
2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]benzoic acid
CID 45394172
N-[(5-bromo-2-fluorophenyl)methyl]-2-chloro-2-phenylacetamide
CID 61298690
(6-chloro-4H-1,3-benzodioxin-8-yl)methyl 4-benzoylbenzoate
CID 7203869
(6-chloro-4H-1,3-benzodioxin-8-yl)methyl 3-(phenylcarbamoylamino)propanoate
CID 7805434
(6-chloro-4H-1,3-benzodioxin-8-yl)methyl 2-hydroxybenzoate
CID 7484890
1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]pyridin-1-ium
CID 2804478

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-2-phenylacetamide?
The IUPAC name of 2-chloro-N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-2-phenylacetamide (CID 110274497) is 2-chloro-N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-2-phenylacetamide.
What is the SMILES notation for 2-chloro-N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-2-phenylacetamide?
The canonical SMILES for 2-chloro-N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-2-phenylacetamide is O=C(NCc1cc(Cl)cc2c1OCOC2)C(Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-2-phenylacetamide?
The InChIKey is WWAPAOZRRXRCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO3/c18-14-6-12(16-13(7-14)9-22-10-23-16)8-20-17(21)15(19)11-4-2-1-3-5-11/h1-7,15H,8-10H2,(H,20,21).
What are the key properties of 2-chloro-N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-2-phenylacetamide?
2-chloro-N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-2-phenylacetamide has a molecular weight of 352.22 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-2-phenylacetamide is sourced from PubChem (CID 110274497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).