(2-acetamido-5-tert-butylphenyl)-chloromercury

C12H16ClHgNO — CID 135052440

IUPAC(2-acetamido-5-tert-butylphenyl)-chloromercury
SMILESCC(=O)Nc1ccc(C(C)(C)C)cc1[Hg]Cl
InChIInChI=1S/C12H16NO.ClH.Hg/c1-9(14)13-11-7-5-10(6-8-11)12(2,3)4;;/h5-7H,1-4H3,(H,13,14);1H;/q;;+1/p-1
InChIKeyGNTUVSXDFQEBDX-UHFFFAOYSA-M
MW426.31 g/mol
LogP2.80
Rot. Bonds2

About (2-acetamido-5-tert-butylphenyl)-chloromercury

(2-acetamido-5-tert-butylphenyl)-chloromercury (PubChem CID 135052440) has the molecular formula C12H16ClHgNO and a molecular weight of 426.31 g/mol. Its IUPAC name is (2-acetamido-5-tert-butylphenyl)-chloromercury.

Molecular Properties

Compound Name(2-acetamido-5-tert-butylphenyl)-chloromercury
PubChem CID135052440
Molecular FormulaC12H16ClHgNO
Molecular Weight426.31 g/mol
Exact Mass427.06
IUPAC Name(2-acetamido-5-tert-butylphenyl)-chloromercury
SMILESCC(=O)Nc1ccc(C(C)(C)C)cc1[Hg]Cl
InChIInChI=1S/C12H16NO.ClH.Hg/c1-9(14)13-11-7-5-10(6-8-11)12(2,3)4;;/h5-7H,1-4H3,(H,13,14);1H;/q;;+1/p-1
InChIKeyGNTUVSXDFQEBDX-UHFFFAOYSA-M
XLogP2.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.31
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-acetamido-5-tert-butylbenzoic acid
CID 42560637
N-(2-bromo-5-tert-butylphenyl)acetamide
CID 146504103
N-[2-[2-[6-[2-(2-acetamido-5-tert-butylphenyl)ethynyl]-2-pyridinyl]ethynyl]-4-tert-butylphenyl]acetamide
CID 173478253
N-[4-[(4-tert-butyl-2-chlorophenyl)sulfamoyl]-2-chlorophenyl]acetamide
CID 3817725
N-[2-amino-4-(trifluoromethyl)phenyl]acetamide
CID 2779452
N-(4-tert-butyl-2-chlorophenyl)-2,2,2-trichloroacetamide
CID 2781894
N-(4-tert-butyl-2,3-dichlorophenyl)acetamide
CID 23531002
N-(2-bromo-4-tert-butylphenyl)-3-chloropropanamide
CID 53268048
N-(5-tert-butyl-3H-indol-2-yl)acetamide
CID 58158263
N-(2-chloro-4-iodophenyl)acetamide
CID 18434368
N,N'-bis(5-tert-butyl-2-hydroxyphenyl)oxamide
CID 10524086
N-(2-bromo-4-tert-butylphenyl)-3-methylbut-2-enamide
CID 53268058

Frequently Asked Questions

What is the IUPAC name of (2-acetamido-5-tert-butylphenyl)-chloromercury?
The IUPAC name of (2-acetamido-5-tert-butylphenyl)-chloromercury (CID 135052440) is (2-acetamido-5-tert-butylphenyl)-chloromercury.
What is the SMILES notation for (2-acetamido-5-tert-butylphenyl)-chloromercury?
The canonical SMILES for (2-acetamido-5-tert-butylphenyl)-chloromercury is CC(=O)Nc1ccc(C(C)(C)C)cc1[Hg]Cl.
What is the InChIKey of (2-acetamido-5-tert-butylphenyl)-chloromercury?
The InChIKey is GNTUVSXDFQEBDX-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H16NO.ClH.Hg/c1-9(14)13-11-7-5-10(6-8-11)12(2,3)4;;/h5-7H,1-4H3,(H,13,14);1H;/q;;+1/p-1.
What are the key properties of (2-acetamido-5-tert-butylphenyl)-chloromercury?
(2-acetamido-5-tert-butylphenyl)-chloromercury has a molecular weight of 426.31 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetamido-5-tert-butylphenyl)-chloromercury is sourced from PubChem (CID 135052440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).