benzoylazanide;ethane;iodobenzene;yttrium

C17H22INOY-2 — CID 158315898

IUPACbenzoylazanide;ethane;iodobenzene;yttrium
SMILESCC.CC.Ic1cc[c-]cc1.[NH-]C(=O)c1ccccc1.[Y]
InChIInChI=1S/C7H7NO.C6H4I.2C2H6.Y/c8-7(9)6-4-2-1-3-5-6;7-6-4-2-1-3-5-6;2*1-2;/h1-5H,(H2,8,9);2-5H;2*1-2H3;/q;-1;;;/p-1
InChIKeyISAHYIQRKJJZSP-UHFFFAOYSA-M
MW472.18 g/mol
LogP6.02
Rot. Bonds1

About benzoylazanide;ethane;iodobenzene;yttrium

benzoylazanide;ethane;iodobenzene;yttrium (PubChem CID 158315898) has the molecular formula C17H22INOY-2 and a molecular weight of 472.18 g/mol. Its IUPAC name is benzoylazanide;ethane;iodobenzene;yttrium.

Molecular Properties

Compound Namebenzoylazanide;ethane;iodobenzene;yttrium
PubChem CID158315898
Molecular FormulaC17H22INOY-2
Molecular Weight472.18 g/mol
Exact Mass471.98
IUPAC Namebenzoylazanide;ethane;iodobenzene;yttrium
SMILESCC.CC.Ic1cc[c-]cc1.[NH-]C(=O)c1ccccc1.[Y]
InChIInChI=1S/C7H7NO.C6H4I.2C2H6.Y/c8-7(9)6-4-2-1-3-5-6;7-6-4-2-1-3-5-6;2*1-2;/h1-5H,(H2,8,9);2-5H;2*1-2H3;/q;-1;;;/p-1
InChIKeyISAHYIQRKJJZSP-UHFFFAOYSA-M
XLogP6.02
TPSA40.87 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.18
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

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benzene;benzoic acid;indigane;yttrium
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CID 157398339
(2R)-2-(4-iodophenyl)-1-phenylpropan-1-one
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ethane;1-phenylethanone;propan-2-one
CID 91456675

Frequently Asked Questions

What is the IUPAC name of benzoylazanide;ethane;iodobenzene;yttrium?
The IUPAC name of benzoylazanide;ethane;iodobenzene;yttrium (CID 158315898) is benzoylazanide;ethane;iodobenzene;yttrium.
What is the SMILES notation for benzoylazanide;ethane;iodobenzene;yttrium?
The canonical SMILES for benzoylazanide;ethane;iodobenzene;yttrium is CC.CC.Ic1cc[c-]cc1.[NH-]C(=O)c1ccccc1.[Y].
What is the InChIKey of benzoylazanide;ethane;iodobenzene;yttrium?
The InChIKey is ISAHYIQRKJJZSP-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H7NO.C6H4I.2C2H6.Y/c8-7(9)6-4-2-1-3-5-6;7-6-4-2-1-3-5-6;2*1-2;/h1-5H,(H2,8,9);2-5H;2*1-2H3;/q;-1;;;/p-1.
What are the key properties of benzoylazanide;ethane;iodobenzene;yttrium?
benzoylazanide;ethane;iodobenzene;yttrium has a molecular weight of 472.18 g/mol, XLogP of 6.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzoylazanide;ethane;iodobenzene;yttrium is sourced from PubChem (CID 158315898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).