3,5-diiodo-N'-(3-methoxybenzoyl)benzohydrazide;2-(3,5-diiodophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole;phosphoryl trichloride

C30H22Cl3I4N4O6P — CID 159106357

IUPAC3,5-diiodo-N'-(3-methoxybenzoyl)benzohydrazide;2-(3,5-diiodophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole;phosphoryl trichloride
SMILESCOc1cccc(-c2nnc(-c3cc(I)cc(I)c3)o2)c1.COc1cccc(C(=O)NNC(=O)c2cc(I)cc(I)c2)c1.O=P(Cl)(Cl)Cl
InChIInChI=1S/C15H12I2N2O3.C15H10I2N2O2.Cl3OP/c1-22-13-4-2-3-9(7-13)14(20)18-19-15(21)10-5-11(16)8-12(17)6-10;1-20-13-4-2-3-9(7-13)14-18-19-15(21-14)10-5-11(16)8-12(17)6-10;1-5(2,3)4/h2-8H,1H3,(H,18,20)(H,19,21);2-8H,1H3;
InChIKeyKDXZQJRDONAPSH-UHFFFAOYSA-N
MW1179.48 g/mol
LogP10.41
Rot. Bonds6

About 3,5-diiodo-N'-(3-methoxybenzoyl)benzohydrazide;2-(3,5-diiodophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole;phosphoryl trichloride

3,5-diiodo-N'-(3-methoxybenzoyl)benzohydrazide;2-(3,5-diiodophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole;phosphoryl trichloride (PubChem CID 159106357) has the molecular formula C30H22Cl3I4N4O6P and a molecular weight of 1179.48 g/mol. Its IUPAC name is 3,5-diiodo-N'-(3-methoxybenzoyl)benzohydrazide;2-(3,5-diiodophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole;phosphoryl trichloride.

Molecular Properties

Compound Name3,5-diiodo-N'-(3-methoxybenzoyl)benzohydrazide;2-(3,5-diiodophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole;phosphoryl trichloride
PubChem CID159106357
Molecular FormulaC30H22Cl3I4N4O6P
Molecular Weight1179.48 g/mol
Exact Mass1177.65
IUPAC Name3,5-diiodo-N'-(3-methoxybenzoyl)benzohydrazide;2-(3,5-diiodophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole;phosphoryl trichloride
SMILESCOc1cccc(-c2nnc(-c3cc(I)cc(I)c3)o2)c1.COc1cccc(C(=O)NNC(=O)c2cc(I)cc(I)c2)c1.O=P(Cl)(Cl)Cl
InChIInChI=1S/C15H12I2N2O3.C15H10I2N2O2.Cl3OP/c1-22-13-4-2-3-9(7-13)14(20)18-19-15(21)10-5-11(16)8-12(17)6-10;1-20-13-4-2-3-9(7-13)14-18-19-15(21-14)10-5-11(16)8-12(17)6-10;1-5(2,3)4/h2-8H,1H3,(H,18,20)(H,19,21);2-8H,1H3;
InChIKeyKDXZQJRDONAPSH-UHFFFAOYSA-N
XLogP10.41
TPSA132.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001179.48
LogP ≤ 510.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-(3,5-diiodophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 67510995
methyl 5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112619027
4-chloro-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 2799994
N-(4-acetylphenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391980
2-(4-chlorophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 687081
5-(3-methoxyphenyl)-N-(2-methylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391928
3-butoxy-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4525703
N-(2-bromophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391997
2-(6-methoxynaphthalen-2-yl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 11348131
(E)-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]prop-2-enoic acid
CID 80503596
N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
CID 5050382
2-(3-methoxyphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 25054364

Frequently Asked Questions

What is the IUPAC name of 3,5-diiodo-N'-(3-methoxybenzoyl)benzohydrazide;2-(3,5-diiodophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole;phosphoryl trichloride?
The IUPAC name of 3,5-diiodo-N'-(3-methoxybenzoyl)benzohydrazide;2-(3,5-diiodophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole;phosphoryl trichloride (CID 159106357) is 3,5-diiodo-N'-(3-methoxybenzoyl)benzohydrazide;2-(3,5-diiodophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole;phosphoryl trichloride.
What is the SMILES notation for 3,5-diiodo-N'-(3-methoxybenzoyl)benzohydrazide;2-(3,5-diiodophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole;phosphoryl trichloride?
The canonical SMILES for 3,5-diiodo-N'-(3-methoxybenzoyl)benzohydrazide;2-(3,5-diiodophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole;phosphoryl trichloride is COc1cccc(-c2nnc(-c3cc(I)cc(I)c3)o2)c1.COc1cccc(C(=O)NNC(=O)c2cc(I)cc(I)c2)c1.O=P(Cl)(Cl)Cl.
What is the InChIKey of 3,5-diiodo-N'-(3-methoxybenzoyl)benzohydrazide;2-(3,5-diiodophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole;phosphoryl trichloride?
The InChIKey is KDXZQJRDONAPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12I2N2O3.C15H10I2N2O2.Cl3OP/c1-22-13-4-2-3-9(7-13)14(20)18-19-15(21)10-5-11(16)8-12(17)6-10;1-20-13-4-2-3-9(7-13)14-18-19-15(21-14)10-5-11(16)8-12(17)6-10;1-5(2,3)4/h2-8H,1H3,(H,18,20)(H,19,21);2-8H,1H3;.
What are the key properties of 3,5-diiodo-N'-(3-methoxybenzoyl)benzohydrazide;2-(3,5-diiodophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole;phosphoryl trichloride?
3,5-diiodo-N'-(3-methoxybenzoyl)benzohydrazide;2-(3,5-diiodophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole;phosphoryl trichloride has a molecular weight of 1179.48 g/mol, XLogP of 10.41, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diiodo-N'-(3-methoxybenzoyl)benzohydrazide;2-(3,5-diiodophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole;phosphoryl trichloride is sourced from PubChem (CID 159106357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).