[2-(carboxymethylcarbamoyl)phenyl]-chloromercury

C9H8ClHgNO3 — CID 19844498

IUPAC[2-(carboxymethylcarbamoyl)phenyl]-chloromercury
SMILESO=C(O)CNC(=O)c1ccccc1[Hg]Cl
InChIInChI=1S/C9H8NO3.ClH.Hg/c11-8(12)6-10-9(13)7-4-2-1-3-5-7;;/h1-4H,6H2,(H,10,13)(H,11,12);1H;/q;;+1/p-1
InChIKeyOIESWABTUIBCPM-UHFFFAOYSA-M
MW414.21 g/mol
LogP0.36
Rot. Bonds4

About [2-(carboxymethylcarbamoyl)phenyl]-chloromercury

[2-(carboxymethylcarbamoyl)phenyl]-chloromercury (PubChem CID 19844498) has the molecular formula C9H8ClHgNO3 and a molecular weight of 414.21 g/mol. Its IUPAC name is [2-(carboxymethylcarbamoyl)phenyl]-chloromercury.

Molecular Properties

Compound Name[2-(carboxymethylcarbamoyl)phenyl]-chloromercury
PubChem CID19844498
Molecular FormulaC9H8ClHgNO3
Molecular Weight414.21 g/mol
Exact Mass414.99
IUPAC Name[2-(carboxymethylcarbamoyl)phenyl]-chloromercury
SMILESO=C(O)CNC(=O)c1ccccc1[Hg]Cl
InChIInChI=1S/C9H8NO3.ClH.Hg/c11-8(12)6-10-9(13)7-4-2-1-3-5-7;;/h1-4H,6H2,(H,10,13)(H,11,12);1H;/q;;+1/p-1
InChIKeyOIESWABTUIBCPM-UHFFFAOYSA-M
XLogP0.36
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.21
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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2-[(2-propylsulfonylbenzoyl)amino]acetic acid
CID 119171610
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Frequently Asked Questions

What is the IUPAC name of [2-(carboxymethylcarbamoyl)phenyl]-chloromercury?
The IUPAC name of [2-(carboxymethylcarbamoyl)phenyl]-chloromercury (CID 19844498) is [2-(carboxymethylcarbamoyl)phenyl]-chloromercury.
What is the SMILES notation for [2-(carboxymethylcarbamoyl)phenyl]-chloromercury?
The canonical SMILES for [2-(carboxymethylcarbamoyl)phenyl]-chloromercury is O=C(O)CNC(=O)c1ccccc1[Hg]Cl.
What is the InChIKey of [2-(carboxymethylcarbamoyl)phenyl]-chloromercury?
The InChIKey is OIESWABTUIBCPM-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H8NO3.ClH.Hg/c11-8(12)6-10-9(13)7-4-2-1-3-5-7;;/h1-4H,6H2,(H,10,13)(H,11,12);1H;/q;;+1/p-1.
What are the key properties of [2-(carboxymethylcarbamoyl)phenyl]-chloromercury?
[2-(carboxymethylcarbamoyl)phenyl]-chloromercury has a molecular weight of 414.21 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(carboxymethylcarbamoyl)phenyl]-chloromercury is sourced from PubChem (CID 19844498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).