2,6-dichloro-N-(2,6-dichlorobenzoyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]benzamide

C24H11Cl4F3N2O3 — CID 13035546

IUPAC2,6-dichloro-N-(2,6-dichlorobenzoyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]benzamide
SMILESO=C(c1c(Cl)cccc1Cl)N(C(=O)c1c(Cl)cccc1Cl)c1cc(-c2ccc(C(F)(F)F)cc2)on1
InChIInChI=1S/C24H11Cl4F3N2O3/c25-14-3-1-4-15(26)20(14)22(34)33(23(35)21-16(27)5-2-6-17(21)28)19-11-18(36-32-19)12-7-9-13(10-8-12)24(29,30)31/h1-11H
InChIKeyVQTZPMQXVRIEPZ-UHFFFAOYSA-N
MW574.17 g/mol
LogP8.46
Rot. Bonds4

About 2,6-dichloro-N-(2,6-dichlorobenzoyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]benzamide

2,6-dichloro-N-(2,6-dichlorobenzoyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]benzamide (PubChem CID 13035546) has the molecular formula C24H11Cl4F3N2O3 and a molecular weight of 574.17 g/mol. Its IUPAC name is 2,6-dichloro-N-(2,6-dichlorobenzoyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-(2,6-dichlorobenzoyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]benzamide
PubChem CID13035546
Molecular FormulaC24H11Cl4F3N2O3
Molecular Weight574.17 g/mol
Exact Mass571.95
IUPAC Name2,6-dichloro-N-(2,6-dichlorobenzoyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]benzamide
SMILESO=C(c1c(Cl)cccc1Cl)N(C(=O)c1c(Cl)cccc1Cl)c1cc(-c2ccc(C(F)(F)F)cc2)on1
InChIInChI=1S/C24H11Cl4F3N2O3/c25-14-3-1-4-15(26)20(14)22(34)33(23(35)21-16(27)5-2-6-17(21)28)19-11-18(36-32-19)12-7-9-13(10-8-12)24(29,30)31/h1-11H
InChIKeyVQTZPMQXVRIEPZ-UHFFFAOYSA-N
XLogP8.46
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.17
LogP ≤ 58.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(2,6-dichlorobenzoyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]benzamide?
The IUPAC name of 2,6-dichloro-N-(2,6-dichlorobenzoyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]benzamide (CID 13035546) is 2,6-dichloro-N-(2,6-dichlorobenzoyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-(2,6-dichlorobenzoyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]benzamide?
The canonical SMILES for 2,6-dichloro-N-(2,6-dichlorobenzoyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]benzamide is O=C(c1c(Cl)cccc1Cl)N(C(=O)c1c(Cl)cccc1Cl)c1cc(-c2ccc(C(F)(F)F)cc2)on1.
What is the InChIKey of 2,6-dichloro-N-(2,6-dichlorobenzoyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]benzamide?
The InChIKey is VQTZPMQXVRIEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H11Cl4F3N2O3/c25-14-3-1-4-15(26)20(14)22(34)33(23(35)21-16(27)5-2-6-17(21)28)19-11-18(36-32-19)12-7-9-13(10-8-12)24(29,30)31/h1-11H.
What are the key properties of 2,6-dichloro-N-(2,6-dichlorobenzoyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]benzamide?
2,6-dichloro-N-(2,6-dichlorobenzoyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]benzamide has a molecular weight of 574.17 g/mol, XLogP of 8.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(2,6-dichlorobenzoyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]benzamide is sourced from PubChem (CID 13035546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).