(4-acetyl-2-aminophenyl)-acetyloxymercury

C10H11HgNO3 — CID 139889865

IUPAC(4-acetyl-2-aminophenyl)-acetyloxymercury
SMILESCC(=O)O[Hg]c1ccc(C(C)=O)cc1N
InChIInChI=1S/C8H8NO.C2H4O2.Hg/c1-6(10)7-3-2-4-8(9)5-7;1-2(3)4;/h2-3,5H,9H2,1H3;1H3,(H,3,4);/q;;+1/p-1
InChIKeyKXLXRRFTJKTUGD-UHFFFAOYSA-M
MW393.79 g/mol
LogP0.66
Rot. Bonds3

About (4-acetyl-2-aminophenyl)-acetyloxymercury

(4-acetyl-2-aminophenyl)-acetyloxymercury (PubChem CID 139889865) has the molecular formula C10H11HgNO3 and a molecular weight of 393.79 g/mol. Its IUPAC name is (4-acetyl-2-aminophenyl)-acetyloxymercury.

Molecular Properties

Compound Name(4-acetyl-2-aminophenyl)-acetyloxymercury
PubChem CID139889865
Molecular FormulaC10H11HgNO3
Molecular Weight393.79 g/mol
Exact Mass395.04
IUPAC Name(4-acetyl-2-aminophenyl)-acetyloxymercury
SMILESCC(=O)O[Hg]c1ccc(C(C)=O)cc1N
InChIInChI=1S/C8H8NO.C2H4O2.Hg/c1-6(10)7-3-2-4-8(9)5-7;1-2(3)4;/h2-3,5H,9H2,1H3;1H3,(H,3,4);/q;;+1/p-1
InChIKeyKXLXRRFTJKTUGD-UHFFFAOYSA-M
XLogP0.66
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.79
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4-acetyl-2-aminophenyl)-acetyloxymercury with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-acetyl-2-aminophenyl)acetic acid
CID 23106782
1-[3-amino-4-(trifluoromethoxy)phenyl]ethanone
CID 170997628
3-(4-acetyl-2-aminophenyl)prop-2-enal
CID 169459463
1-(4-amino-3-ethenylphenyl)ethanone
CID 71501022
1-(3-amino-4-phenoxyphenyl)ethanone
CID 82128259
ethyl 3-(4-acetyl-2-aminophenyl)prop-2-enoate
CID 169480688
1-[4-(4-acetyl-2-aminoanilino)phenyl]ethanone
CID 82487575
1-[3-amino-4-(propan-2-ylamino)phenyl]ethanone
CID 82468958
1-(4-amino-3-methylsulfanylphenyl)ethanone
CID 116998547
1-[3-amino-4-(4-chlorophenyl)sulfanylphenyl]ethanone
CID 82177453
1-[3-amino-4-(2,4-dibromophenyl)phenyl]ethanone
CID 21406748
1-[3-amino-4-(3-hydroxyprop-1-ynyl)phenyl]ethanone
CID 169485350

Frequently Asked Questions

What is the IUPAC name of (4-acetyl-2-aminophenyl)-acetyloxymercury?
The IUPAC name of (4-acetyl-2-aminophenyl)-acetyloxymercury (CID 139889865) is (4-acetyl-2-aminophenyl)-acetyloxymercury.
What is the SMILES notation for (4-acetyl-2-aminophenyl)-acetyloxymercury?
The canonical SMILES for (4-acetyl-2-aminophenyl)-acetyloxymercury is CC(=O)O[Hg]c1ccc(C(C)=O)cc1N.
What is the InChIKey of (4-acetyl-2-aminophenyl)-acetyloxymercury?
The InChIKey is KXLXRRFTJKTUGD-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H8NO.C2H4O2.Hg/c1-6(10)7-3-2-4-8(9)5-7;1-2(3)4;/h2-3,5H,9H2,1H3;1H3,(H,3,4);/q;;+1/p-1.
What are the key properties of (4-acetyl-2-aminophenyl)-acetyloxymercury?
(4-acetyl-2-aminophenyl)-acetyloxymercury has a molecular weight of 393.79 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetyl-2-aminophenyl)-acetyloxymercury is sourced from PubChem (CID 139889865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).