phosphoric acid;3,4,5-tribromo-2-hydroxy-N-phenylbenzamide;zinc

C13H11Br3NO6PZn2 — CID 173256364

IUPACphosphoric acid;3,4,5-tribromo-2-hydroxy-N-phenylbenzamide;zinc
SMILESO=C(Nc1ccccc1)c1cc(Br)c(Br)c(Br)c1O.O=P(O)(O)O.[Zn].[Zn]
InChIInChI=1S/C13H8Br3NO2.H3O4P.2Zn/c14-9-6-8(12(18)11(16)10(9)15)13(19)17-7-4-2-1-3-5-7;1-5(2,3)4;;/h1-6,18H,(H,17,19);(H3,1,2,3,4);;
InChIKeyKSVIVYLVFMLTIM-UHFFFAOYSA-N
MW678.70 g/mol
LogP4.00
Rot. Bonds2

About phosphoric acid;3,4,5-tribromo-2-hydroxy-N-phenylbenzamide;zinc

phosphoric acid;3,4,5-tribromo-2-hydroxy-N-phenylbenzamide;zinc (PubChem CID 173256364) has the molecular formula C13H11Br3NO6PZn2 and a molecular weight of 678.70 g/mol. Its IUPAC name is phosphoric acid;3,4,5-tribromo-2-hydroxy-N-phenylbenzamide;zinc.

Molecular Properties

Compound Namephosphoric acid;3,4,5-tribromo-2-hydroxy-N-phenylbenzamide;zinc
PubChem CID173256364
Molecular FormulaC13H11Br3NO6PZn2
Molecular Weight678.70 g/mol
Exact Mass672.65
IUPAC Namephosphoric acid;3,4,5-tribromo-2-hydroxy-N-phenylbenzamide;zinc
SMILESO=C(Nc1ccccc1)c1cc(Br)c(Br)c(Br)c1O.O=P(O)(O)O.[Zn].[Zn]
InChIInChI=1S/C13H8Br3NO2.H3O4P.2Zn/c14-9-6-8(12(18)11(16)10(9)15)13(19)17-7-4-2-1-3-5-7;1-5(2,3)4;;/h1-6,18H,(H,17,19);(H3,1,2,3,4);;
InChIKeyKSVIVYLVFMLTIM-UHFFFAOYSA-N
XLogP4.00
TPSA127.09 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500678.70
LogP ≤ 54.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

3,4-dibromo-2-hydroxy-N-phenylbenzamide;3,4,5-tribromo-2-hydroxy-N-phenylbenzamide
CID 162104301
3,5-dibromo-2-hydroxy-N-phenylbenzamide
CID 17404
2-hydroxy-N-phenylbenzamide
CID 157209959
2-bromo-4-fluoro-N-phenylbenzamide
CID 17461201
1-hydroxy-N,4-diphenylnaphthalene-2-carboxamide
CID 141440048
5-bromo-N-(4-bromophenyl)-2-hydroxybenzamide;5-bromo-2-hydroxy-N-phenylbenzamide
CID 175557226
2-hydroxy-N-phenylbenzamide chloride
CID 19021936
ethane;2-hydroxy-N-phenylbenzamide
CID 54170056
2,4-dibromo-6-hydroxy-N-phenylbenzamide
CID 101304515
2-hydroxy-3,5-diiodo-N-(4-phenylphenyl)benzamide
CID 90645537
2-hydroxy-N-phenyl-3,5-bis(trifluoromethyl)benzamide
CID 154394925
sodium 3-hydroxy-N-phenylnaphthalene-2-carboxamide
CID 21118656

Frequently Asked Questions

What is the IUPAC name of phosphoric acid;3,4,5-tribromo-2-hydroxy-N-phenylbenzamide;zinc?
The IUPAC name of phosphoric acid;3,4,5-tribromo-2-hydroxy-N-phenylbenzamide;zinc (CID 173256364) is phosphoric acid;3,4,5-tribromo-2-hydroxy-N-phenylbenzamide;zinc.
What is the SMILES notation for phosphoric acid;3,4,5-tribromo-2-hydroxy-N-phenylbenzamide;zinc?
The canonical SMILES for phosphoric acid;3,4,5-tribromo-2-hydroxy-N-phenylbenzamide;zinc is O=C(Nc1ccccc1)c1cc(Br)c(Br)c(Br)c1O.O=P(O)(O)O.[Zn].[Zn].
What is the InChIKey of phosphoric acid;3,4,5-tribromo-2-hydroxy-N-phenylbenzamide;zinc?
The InChIKey is KSVIVYLVFMLTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br3NO2.H3O4P.2Zn/c14-9-6-8(12(18)11(16)10(9)15)13(19)17-7-4-2-1-3-5-7;1-5(2,3)4;;/h1-6,18H,(H,17,19);(H3,1,2,3,4);;.
What are the key properties of phosphoric acid;3,4,5-tribromo-2-hydroxy-N-phenylbenzamide;zinc?
phosphoric acid;3,4,5-tribromo-2-hydroxy-N-phenylbenzamide;zinc has a molecular weight of 678.70 g/mol, XLogP of 4.00, 2 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phosphoric acid;3,4,5-tribromo-2-hydroxy-N-phenylbenzamide;zinc is sourced from PubChem (CID 173256364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).