2,2-dichloro-N-[2-(2,6-dichlorophenyl)-5-(1,3-oxazol-2-yl)phenyl]acetamide

C17H10Cl4N2O2 — CID 91158209

IUPAC2,2-dichloro-N-[2-(2,6-dichlorophenyl)-5-(1,3-oxazol-2-yl)phenyl]acetamide
SMILESO=C(Nc1cc(-c2ncco2)ccc1-c1c(Cl)cccc1Cl)C(Cl)Cl
InChIInChI=1S/C17H10Cl4N2O2/c18-11-2-1-3-12(19)14(11)10-5-4-9(17-22-6-7-25-17)8-13(10)23-16(24)15(20)21/h1-8,15H,(H,23,24)
InChIKeyYOFNOBWWCWLNCQ-UHFFFAOYSA-N
MW416.09 g/mol
LogP6.06
Rot. Bonds4

About 2,2-dichloro-N-[2-(2,6-dichlorophenyl)-5-(1,3-oxazol-2-yl)phenyl]acetamide

2,2-dichloro-N-[2-(2,6-dichlorophenyl)-5-(1,3-oxazol-2-yl)phenyl]acetamide (PubChem CID 91158209) has the molecular formula C17H10Cl4N2O2 and a molecular weight of 416.09 g/mol. Its IUPAC name is 2,2-dichloro-N-[2-(2,6-dichlorophenyl)-5-(1,3-oxazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2,2-dichloro-N-[2-(2,6-dichlorophenyl)-5-(1,3-oxazol-2-yl)phenyl]acetamide
PubChem CID91158209
Molecular FormulaC17H10Cl4N2O2
Molecular Weight416.09 g/mol
Exact Mass413.95
IUPAC Name2,2-dichloro-N-[2-(2,6-dichlorophenyl)-5-(1,3-oxazol-2-yl)phenyl]acetamide
SMILESO=C(Nc1cc(-c2ncco2)ccc1-c1c(Cl)cccc1Cl)C(Cl)Cl
InChIInChI=1S/C17H10Cl4N2O2/c18-11-2-1-3-12(19)14(11)10-5-4-9(17-22-6-7-25-17)8-13(10)23-16(24)15(20)21/h1-8,15H,(H,23,24)
InChIKeyYOFNOBWWCWLNCQ-UHFFFAOYSA-N
XLogP6.06
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.09
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[2-(2,6-dichlorophenyl)-5-(1,3-oxazol-2-yl)phenyl]acetamide?
The IUPAC name of 2,2-dichloro-N-[2-(2,6-dichlorophenyl)-5-(1,3-oxazol-2-yl)phenyl]acetamide (CID 91158209) is 2,2-dichloro-N-[2-(2,6-dichlorophenyl)-5-(1,3-oxazol-2-yl)phenyl]acetamide.
What is the SMILES notation for 2,2-dichloro-N-[2-(2,6-dichlorophenyl)-5-(1,3-oxazol-2-yl)phenyl]acetamide?
The canonical SMILES for 2,2-dichloro-N-[2-(2,6-dichlorophenyl)-5-(1,3-oxazol-2-yl)phenyl]acetamide is O=C(Nc1cc(-c2ncco2)ccc1-c1c(Cl)cccc1Cl)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-[2-(2,6-dichlorophenyl)-5-(1,3-oxazol-2-yl)phenyl]acetamide?
The InChIKey is YOFNOBWWCWLNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl4N2O2/c18-11-2-1-3-12(19)14(11)10-5-4-9(17-22-6-7-25-17)8-13(10)23-16(24)15(20)21/h1-8,15H,(H,23,24).
What are the key properties of 2,2-dichloro-N-[2-(2,6-dichlorophenyl)-5-(1,3-oxazol-2-yl)phenyl]acetamide?
2,2-dichloro-N-[2-(2,6-dichlorophenyl)-5-(1,3-oxazol-2-yl)phenyl]acetamide has a molecular weight of 416.09 g/mol, XLogP of 6.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[2-(2,6-dichlorophenyl)-5-(1,3-oxazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 91158209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).