bis(2-anilinoacetate);cadmium(2+)

C16H16CdN2O4 — CID 88771971

IUPACbis(2-anilinoacetate);cadmium(2+)
SMILESO=C([O-])CNc1ccccc1.O=C([O-])CNc1ccccc1.[Cd+2]
InChIInChI=1S/2C8H9NO2.Cd/c2*10-8(11)6-9-7-4-2-1-3-5-7;/h2*1-5,9H,6H2,(H,10,11);/q;;+2/p-2
InChIKeyHBPSHYDNXAUNEO-UHFFFAOYSA-L
MW412.73 g/mol
LogP-0.31
Rot. Bonds6

About bis(2-anilinoacetate);cadmium(2+)

bis(2-anilinoacetate);cadmium(2+) (PubChem CID 88771971) has the molecular formula C16H16CdN2O4 and a molecular weight of 412.73 g/mol. Its IUPAC name is bis(2-anilinoacetate);cadmium(2+).

Molecular Properties

Compound Namebis(2-anilinoacetate);cadmium(2+)
PubChem CID88771971
Molecular FormulaC16H16CdN2O4
Molecular Weight412.73 g/mol
Exact Mass414.01
IUPAC Namebis(2-anilinoacetate);cadmium(2+)
SMILESO=C([O-])CNc1ccccc1.O=C([O-])CNc1ccccc1.[Cd+2]
InChIInChI=1S/2C8H9NO2.Cd/c2*10-8(11)6-9-7-4-2-1-3-5-7;/h2*1-5,9H,6H2,(H,10,11);/q;;+2/p-2
InChIKeyHBPSHYDNXAUNEO-UHFFFAOYSA-L
XLogP-0.31
TPSA104.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.73
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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potassium;sodium;2-anilinoacetic acid;hydride
CID 174390322
2-anilinoacetic acid;formic acid
CID 174518720
N-(2-nitroprop-2-enyl)aniline
CID 68795117
N-(2-methylprop-2-enyl)aniline;hydrochloride
CID 86147547
1-anilino-3-phenyliminopropan-2-one
CID 91514500
(E)-5-anilino-4-methylpent-3-en-2-one
CID 143995368
2-anilino-1-(2-chlorophenyl)ethanone
CID 116555252
2-anilino-1-(4-hydroxyphenyl)ethanone
CID 11379161
2-anilino-N-(1-hydroxypropan-2-yl)acetamide
CID 60862778
2-anilino-1-cyclobutylethanone
CID 116555468

Frequently Asked Questions

What is the IUPAC name of bis(2-anilinoacetate);cadmium(2+)?
The IUPAC name of bis(2-anilinoacetate);cadmium(2+) (CID 88771971) is bis(2-anilinoacetate);cadmium(2+).
What is the SMILES notation for bis(2-anilinoacetate);cadmium(2+)?
The canonical SMILES for bis(2-anilinoacetate);cadmium(2+) is O=C([O-])CNc1ccccc1.O=C([O-])CNc1ccccc1.[Cd+2].
What is the InChIKey of bis(2-anilinoacetate);cadmium(2+)?
The InChIKey is HBPSHYDNXAUNEO-UHFFFAOYSA-L. The full InChI is InChI=1S/2C8H9NO2.Cd/c2*10-8(11)6-9-7-4-2-1-3-5-7;/h2*1-5,9H,6H2,(H,10,11);/q;;+2/p-2.
What are the key properties of bis(2-anilinoacetate);cadmium(2+)?
bis(2-anilinoacetate);cadmium(2+) has a molecular weight of 412.73 g/mol, XLogP of -0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-anilinoacetate);cadmium(2+) is sourced from PubChem (CID 88771971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).