4-arsoroso-N,N-dimethylbenzamide

C9H10AsNO2 — CID 3027013

IUPAC4-arsoroso-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc([As]=O)cc1
InChIInChI=1S/C9H10AsNO2/c1-11(2)9(12)7-3-5-8(10-13)6-4-7/h3-6H,1-2H3
InChIKeyCFJMXRNDXGVIDX-UHFFFAOYSA-N
MW239.11 g/mol
LogP0.06
Rot. Bonds2

About 4-arsoroso-N,N-dimethylbenzamide

4-arsoroso-N,N-dimethylbenzamide (PubChem CID 3027013) has the molecular formula C9H10AsNO2 and a molecular weight of 239.11 g/mol. Its IUPAC name is 4-arsoroso-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-arsoroso-N,N-dimethylbenzamide
PubChem CID3027013
Molecular FormulaC9H10AsNO2
Molecular Weight239.11 g/mol
Exact Mass238.99
IUPAC Name4-arsoroso-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc([As]=O)cc1
InChIInChI=1S/C9H10AsNO2/c1-11(2)9(12)7-3-5-8(10-13)6-4-7/h3-6H,1-2H3
InChIKeyCFJMXRNDXGVIDX-UHFFFAOYSA-N
XLogP0.06
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.11
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethylmethanamine;4-hydroxy-N,N-dimethylbenzamide
CID 143686918
4-(4-hydroxyphenyl)-N,N-dimethylbenzamide
CID 53218656
4-benzoyl-N,N-dimethylbenzamide
CID 12779824
N,N-dimethylpyridin-1-ium-4-carboxamide
CID 76541174
4-[4-(dimethylamino)phenyl]-N,N-dimethylbenzamide
CID 110487766
4-[(E)-N'-hydroxycarbamimidoyl]-N,N-dimethylbenzamide
CID 165437218
N,N-dimethyl-4-prop-1-ynylbenzamide
CID 89195364
N,N-dimethyl-4-sulfamoylbenzamide
CID 10353728
[4-(dimethylcarbamoyl)phenyl] acetate
CID 3357388
4-(dimethylcarbamoyl)benzenesulfinate
CID 69119645
3-(3-chloropropanoylamino)-N,N,4-trimethylbenzamide
CID 43698528
4-[[4-(dimethylcarbamoyl)phenyl]-methoxymethyl]-N,N-dimethylbenzamide
CID 59165706

Frequently Asked Questions

What is the IUPAC name of 4-arsoroso-N,N-dimethylbenzamide?
The IUPAC name of 4-arsoroso-N,N-dimethylbenzamide (CID 3027013) is 4-arsoroso-N,N-dimethylbenzamide.
What is the SMILES notation for 4-arsoroso-N,N-dimethylbenzamide?
The canonical SMILES for 4-arsoroso-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc([As]=O)cc1.
What is the InChIKey of 4-arsoroso-N,N-dimethylbenzamide?
The InChIKey is CFJMXRNDXGVIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10AsNO2/c1-11(2)9(12)7-3-5-8(10-13)6-4-7/h3-6H,1-2H3.
What are the key properties of 4-arsoroso-N,N-dimethylbenzamide?
4-arsoroso-N,N-dimethylbenzamide has a molecular weight of 239.11 g/mol, XLogP of 0.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-arsoroso-N,N-dimethylbenzamide is sourced from PubChem (CID 3027013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).