2-benzamidoethyl(chloro)mercury

C9H10ClHgNO — CID 70399484

IUPAC2-benzamidoethyl(chloro)mercury
SMILESO=C(NCC[Hg]Cl)c1ccccc1
InChIInChI=1S/C9H10NO.ClH.Hg/c1-2-10-9(11)8-6-4-3-5-7-8;;/h3-7H,1-2H2,(H,10,11);1H;/q;;+1/p-1
InChIKeyLNCMLAPFCNNRSE-UHFFFAOYSA-M
MW384.23 g/mol
LogP2.07
Rot. Bonds4

About 2-benzamidoethyl(chloro)mercury

2-benzamidoethyl(chloro)mercury (PubChem CID 70399484) has the molecular formula C9H10ClHgNO and a molecular weight of 384.23 g/mol. Its IUPAC name is 2-benzamidoethyl(chloro)mercury.

Molecular Properties

Compound Name2-benzamidoethyl(chloro)mercury
PubChem CID70399484
Molecular FormulaC9H10ClHgNO
Molecular Weight384.23 g/mol
Exact Mass385.02
IUPAC Name2-benzamidoethyl(chloro)mercury
SMILESO=C(NCC[Hg]Cl)c1ccccc1
InChIInChI=1S/C9H10NO.ClH.Hg/c1-2-10-9(11)8-6-4-3-5-7-8;;/h3-7H,1-2H2,(H,10,11);1H;/q;;+1/p-1
InChIKeyLNCMLAPFCNNRSE-UHFFFAOYSA-M
XLogP2.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.23
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(2-benzamidoethylamino)ethylamino]ethyl]benzamide
CID 86227273
N-[2-(hydroxymethylamino)ethyl]benzamide
CID 89240823
benzoic acid;N-(2-hydroxyethyl)benzamide
CID 68510330
N-(2-aminoethyl)benzamide;ethane
CID 143976252
N-[2-(methylcarbamoylamino)ethyl]benzamide
CID 47152136
N-ethylbenzamide
CID 160772566
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
N-[2-(4-chloroanilino)ethyl]benzamide
CID 15324175
N-[2-[2-(2-chloroethoxy)ethoxy]ethyl]benzamide
CID 126723293
N-(2-benzamidoethyl)-4-ethylbenzamide
CID 84532761
N-(4-oxopentyl)benzamide
CID 10798281
3-benzamidopropylphosphonic acid
CID 59131688

Frequently Asked Questions

What is the IUPAC name of 2-benzamidoethyl(chloro)mercury?
The IUPAC name of 2-benzamidoethyl(chloro)mercury (CID 70399484) is 2-benzamidoethyl(chloro)mercury.
What is the SMILES notation for 2-benzamidoethyl(chloro)mercury?
The canonical SMILES for 2-benzamidoethyl(chloro)mercury is O=C(NCC[Hg]Cl)c1ccccc1.
What is the InChIKey of 2-benzamidoethyl(chloro)mercury?
The InChIKey is LNCMLAPFCNNRSE-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H10NO.ClH.Hg/c1-2-10-9(11)8-6-4-3-5-7-8;;/h3-7H,1-2H2,(H,10,11);1H;/q;;+1/p-1.
What are the key properties of 2-benzamidoethyl(chloro)mercury?
2-benzamidoethyl(chloro)mercury has a molecular weight of 384.23 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamidoethyl(chloro)mercury is sourced from PubChem (CID 70399484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).