2,6-dichloro-N-[2-[(3-chlorophenyl)methoxy]ethyl]benzamide

C16H14Cl3NO2 — CID 46868516

IUPAC2,6-dichloro-N-[2-[(3-chlorophenyl)methoxy]ethyl]benzamide
SMILESO=C(NCCOCc1cccc(Cl)c1)c1c(Cl)cccc1Cl
InChIInChI=1S/C16H14Cl3NO2/c17-12-4-1-3-11(9-12)10-22-8-7-20-16(21)15-13(18)5-2-6-14(15)19/h1-6,9H,7-8,10H2,(H,20,21)
InChIKeyXFWJZSADKLWWHR-UHFFFAOYSA-N
MW358.65 g/mol
LogP4.59
Rot. Bonds6

About 2,6-dichloro-N-[2-[(3-chlorophenyl)methoxy]ethyl]benzamide

2,6-dichloro-N-[2-[(3-chlorophenyl)methoxy]ethyl]benzamide (PubChem CID 46868516) has the molecular formula C16H14Cl3NO2 and a molecular weight of 358.65 g/mol. Its IUPAC name is 2,6-dichloro-N-[2-[(3-chlorophenyl)methoxy]ethyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[2-[(3-chlorophenyl)methoxy]ethyl]benzamide
PubChem CID46868516
Molecular FormulaC16H14Cl3NO2
Molecular Weight358.65 g/mol
Exact Mass357.01
IUPAC Name2,6-dichloro-N-[2-[(3-chlorophenyl)methoxy]ethyl]benzamide
SMILESO=C(NCCOCc1cccc(Cl)c1)c1c(Cl)cccc1Cl
InChIInChI=1S/C16H14Cl3NO2/c17-12-4-1-3-11(9-12)10-22-8-7-20-16(21)15-13(18)5-2-6-14(15)19/h1-6,9H,7-8,10H2,(H,20,21)
InChIKeyXFWJZSADKLWWHR-UHFFFAOYSA-N
XLogP4.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.65
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[2-[(3-chlorophenyl)methoxy]ethyl]benzamide?
The IUPAC name of 2,6-dichloro-N-[2-[(3-chlorophenyl)methoxy]ethyl]benzamide (CID 46868516) is 2,6-dichloro-N-[2-[(3-chlorophenyl)methoxy]ethyl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[2-[(3-chlorophenyl)methoxy]ethyl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[2-[(3-chlorophenyl)methoxy]ethyl]benzamide is O=C(NCCOCc1cccc(Cl)c1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-[2-[(3-chlorophenyl)methoxy]ethyl]benzamide?
The InChIKey is XFWJZSADKLWWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl3NO2/c17-12-4-1-3-11(9-12)10-22-8-7-20-16(21)15-13(18)5-2-6-14(15)19/h1-6,9H,7-8,10H2,(H,20,21).
What are the key properties of 2,6-dichloro-N-[2-[(3-chlorophenyl)methoxy]ethyl]benzamide?
2,6-dichloro-N-[2-[(3-chlorophenyl)methoxy]ethyl]benzamide has a molecular weight of 358.65 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[2-[(3-chlorophenyl)methoxy]ethyl]benzamide is sourced from PubChem (CID 46868516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).