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

C17H10Cl4N2O2 — CID 3007230

IUPAC2,2-dichloro-N-[3-[5-(2,6-dichlorophenyl)-1,2-oxazol-3-yl]phenyl]acetamide
SMILESO=C(Nc1cccc(-c2cc(-c3c(Cl)cccc3Cl)on2)c1)C(Cl)Cl
InChIInChI=1S/C17H10Cl4N2O2/c18-11-5-2-6-12(19)15(11)14-8-13(23-25-14)9-3-1-4-10(7-9)22-17(24)16(20)21/h1-8,16H,(H,22,24)
InChIKeyJHVNVXFBEIBOGQ-UHFFFAOYSA-N
MW416.09 g/mol
LogP6.06
Rot. Bonds4

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

2,2-dichloro-N-[3-[5-(2,6-dichlorophenyl)-1,2-oxazol-3-yl]phenyl]acetamide (PubChem CID 3007230) has the molecular formula C17H10Cl4N2O2 and a molecular weight of 416.09 g/mol. Its IUPAC name is 2,2-dichloro-N-[3-[5-(2,6-dichlorophenyl)-1,2-oxazol-3-yl]phenyl]acetamide.

Molecular Properties

Compound Name2,2-dichloro-N-[3-[5-(2,6-dichlorophenyl)-1,2-oxazol-3-yl]phenyl]acetamide
PubChem CID3007230
Molecular FormulaC17H10Cl4N2O2
Molecular Weight416.09 g/mol
Exact Mass413.95
IUPAC Name2,2-dichloro-N-[3-[5-(2,6-dichlorophenyl)-1,2-oxazol-3-yl]phenyl]acetamide
SMILESO=C(Nc1cccc(-c2cc(-c3c(Cl)cccc3Cl)on2)c1)C(Cl)Cl
InChIInChI=1S/C17H10Cl4N2O2/c18-11-5-2-6-12(19)15(11)14-8-13(23-25-14)9-3-1-4-10(7-9)22-17(24)16(20)21/h1-8,16H,(H,22,24)
InChIKeyJHVNVXFBEIBOGQ-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-[3-[5-(2,6-dichlorophenyl)-1,2-oxazol-3-yl]phenyl]acetamide?
The IUPAC name of 2,2-dichloro-N-[3-[5-(2,6-dichlorophenyl)-1,2-oxazol-3-yl]phenyl]acetamide (CID 3007230) is 2,2-dichloro-N-[3-[5-(2,6-dichlorophenyl)-1,2-oxazol-3-yl]phenyl]acetamide.
What is the SMILES notation for 2,2-dichloro-N-[3-[5-(2,6-dichlorophenyl)-1,2-oxazol-3-yl]phenyl]acetamide?
The canonical SMILES for 2,2-dichloro-N-[3-[5-(2,6-dichlorophenyl)-1,2-oxazol-3-yl]phenyl]acetamide is O=C(Nc1cccc(-c2cc(-c3c(Cl)cccc3Cl)on2)c1)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-[3-[5-(2,6-dichlorophenyl)-1,2-oxazol-3-yl]phenyl]acetamide?
The InChIKey is JHVNVXFBEIBOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl4N2O2/c18-11-5-2-6-12(19)15(11)14-8-13(23-25-14)9-3-1-4-10(7-9)22-17(24)16(20)21/h1-8,16H,(H,22,24).
What are the key properties of 2,2-dichloro-N-[3-[5-(2,6-dichlorophenyl)-1,2-oxazol-3-yl]phenyl]acetamide?
2,2-dichloro-N-[3-[5-(2,6-dichlorophenyl)-1,2-oxazol-3-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-[3-[5-(2,6-dichlorophenyl)-1,2-oxazol-3-yl]phenyl]acetamide is sourced from PubChem (CID 3007230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).