N-(4-methylidenearsanylnaphthalen-1-yl)acetamide

C13H12AsNO — CID 158613942

IUPACN-(4-methylidenearsanylnaphthalen-1-yl)acetamide
SMILESC=[As]c1ccc(NC(C)=O)c2ccccc12
InChIInChI=1S/C13H12AsNO/c1-9(16)15-13-8-7-12(14-2)10-5-3-4-6-11(10)13/h3-8H,2H2,1H3,(H,15,16)
InChIKeyHWSAYAQZZPGRFR-UHFFFAOYSA-N
MW273.17 g/mol
LogP1.56
Rot. Bonds2

About N-(4-methylidenearsanylnaphthalen-1-yl)acetamide

N-(4-methylidenearsanylnaphthalen-1-yl)acetamide (PubChem CID 158613942) has the molecular formula C13H12AsNO and a molecular weight of 273.17 g/mol. Its IUPAC name is N-(4-methylidenearsanylnaphthalen-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-methylidenearsanylnaphthalen-1-yl)acetamide
PubChem CID158613942
Molecular FormulaC13H12AsNO
Molecular Weight273.17 g/mol
Exact Mass273.01
IUPAC NameN-(4-methylidenearsanylnaphthalen-1-yl)acetamide
SMILESC=[As]c1ccc(NC(C)=O)c2ccccc12
InChIInChI=1S/C13H12AsNO/c1-9(16)15-13-8-7-12(14-2)10-5-3-4-6-11(10)13/h3-8H,2H2,1H3,(H,15,16)
InChIKeyHWSAYAQZZPGRFR-UHFFFAOYSA-N
XLogP1.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 51.56
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

N-(4-aminonaphthalen-1-yl)acetamide;aniline
CID 143752661
N-(3,4-diaminonaphthalen-1-yl)acetamide
CID 121009554
N-(5-sulfamoylnaphthalen-1-yl)acetamide
CID 3403698
N-[2-(methylamino)phenyl]acetamide
CID 22950987
[5-(2-methylprop-2-enoylamino)naphthalen-1-yl]azanium
CID 140585854
N-(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-7-yl)acetamide
CID 12034659
N-[2-(methylideneamino)phenyl]acetamide
CID 134593356
N-[2-(2-methylprop-2-enyl)phenyl]acetamide
CID 102600118
N-[2-(hydroxymethyl)phenyl]acetamide;hydrochloride
CID 142950008
ethane;N-[2-(hydroxymethyl)phenyl]acetamide
CID 91162619
N-(3-acetamidoazulen-1-yl)acetamide
CID 86151929
N-[6-(dimethylsulfamoyl)-5-hydroxynaphthalen-1-yl]acetamide
CID 91728656

Frequently Asked Questions

What is the IUPAC name of N-(4-methylidenearsanylnaphthalen-1-yl)acetamide?
The IUPAC name of N-(4-methylidenearsanylnaphthalen-1-yl)acetamide (CID 158613942) is N-(4-methylidenearsanylnaphthalen-1-yl)acetamide.
What is the SMILES notation for N-(4-methylidenearsanylnaphthalen-1-yl)acetamide?
The canonical SMILES for N-(4-methylidenearsanylnaphthalen-1-yl)acetamide is C=[As]c1ccc(NC(C)=O)c2ccccc12.
What is the InChIKey of N-(4-methylidenearsanylnaphthalen-1-yl)acetamide?
The InChIKey is HWSAYAQZZPGRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12AsNO/c1-9(16)15-13-8-7-12(14-2)10-5-3-4-6-11(10)13/h3-8H,2H2,1H3,(H,15,16).
What are the key properties of N-(4-methylidenearsanylnaphthalen-1-yl)acetamide?
N-(4-methylidenearsanylnaphthalen-1-yl)acetamide has a molecular weight of 273.17 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylidenearsanylnaphthalen-1-yl)acetamide is sourced from PubChem (CID 158613942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).