3,4-dichloro-N-[(3,4-dichlorophenyl)-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide

C22H13Cl4N3O2 — CID 73050827

IUPAC3,4-dichloro-N-[(3,4-dichlorophenyl)-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
SMILESO=C(NC(c1ccc(Cl)c(Cl)c1)c1nc(-c2ccccc2)no1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H13Cl4N3O2/c23-15-8-6-13(10-17(15)25)19(27-21(30)14-7-9-16(24)18(26)11-14)22-28-20(29-31-22)12-4-2-1-3-5-12/h1-11,19H,(H,27,30)
InChIKeyUUBMJAXASDWKBN-UHFFFAOYSA-N
MW493.18 g/mol
LogP6.87
Rot. Bonds5

About 3,4-dichloro-N-[(3,4-dichlorophenyl)-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide

3,4-dichloro-N-[(3,4-dichlorophenyl)-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide (PubChem CID 73050827) has the molecular formula C22H13Cl4N3O2 and a molecular weight of 493.18 g/mol. Its IUPAC name is 3,4-dichloro-N-[(3,4-dichlorophenyl)-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[(3,4-dichlorophenyl)-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
PubChem CID73050827
Molecular FormulaC22H13Cl4N3O2
Molecular Weight493.18 g/mol
Exact Mass490.98
IUPAC Name3,4-dichloro-N-[(3,4-dichlorophenyl)-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
SMILESO=C(NC(c1ccc(Cl)c(Cl)c1)c1nc(-c2ccccc2)no1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H13Cl4N3O2/c23-15-8-6-13(10-17(15)25)19(27-21(30)14-7-9-16(24)18(26)11-14)22-28-20(29-31-22)12-4-2-1-3-5-12/h1-11,19H,(H,27,30)
InChIKeyUUBMJAXASDWKBN-UHFFFAOYSA-N
XLogP6.87
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.18
LogP ≤ 56.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[(3,4-dichlorophenyl)-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[(3,4-dichlorophenyl)-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide (CID 73050827) is 3,4-dichloro-N-[(3,4-dichlorophenyl)-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[(3,4-dichlorophenyl)-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[(3,4-dichlorophenyl)-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide is O=C(NC(c1ccc(Cl)c(Cl)c1)c1nc(-c2ccccc2)no1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[(3,4-dichlorophenyl)-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
The InChIKey is UUBMJAXASDWKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13Cl4N3O2/c23-15-8-6-13(10-17(15)25)19(27-21(30)14-7-9-16(24)18(26)11-14)22-28-20(29-31-22)12-4-2-1-3-5-12/h1-11,19H,(H,27,30).
What are the key properties of 3,4-dichloro-N-[(3,4-dichlorophenyl)-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
3,4-dichloro-N-[(3,4-dichlorophenyl)-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide has a molecular weight of 493.18 g/mol, XLogP of 6.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[(3,4-dichlorophenyl)-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide is sourced from PubChem (CID 73050827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).