3-dimethylarsanyl-N,N,2-trimethylbenzamide

C12H18AsNO — CID 87584443

IUPAC3-dimethylarsanyl-N,N,2-trimethylbenzamide
SMILESCc1c(C(=O)N(C)C)cccc1[As](C)C
InChIInChI=1S/C12H18AsNO/c1-9-10(12(15)14(4)5)7-6-8-11(9)13(2)3/h6-8H,1-5H3
InChIKeyHDEMYEQQAVAWBN-UHFFFAOYSA-N
MW267.20 g/mol
LogP1.66
Rot. Bonds2

About 3-dimethylarsanyl-N,N,2-trimethylbenzamide

3-dimethylarsanyl-N,N,2-trimethylbenzamide (PubChem CID 87584443) has the molecular formula C12H18AsNO and a molecular weight of 267.20 g/mol. Its IUPAC name is 3-dimethylarsanyl-N,N,2-trimethylbenzamide.

Molecular Properties

Compound Name3-dimethylarsanyl-N,N,2-trimethylbenzamide
PubChem CID87584443
Molecular FormulaC12H18AsNO
Molecular Weight267.20 g/mol
Exact Mass267.06
IUPAC Name3-dimethylarsanyl-N,N,2-trimethylbenzamide
SMILESCc1c(C(=O)N(C)C)cccc1[As](C)C
InChIInChI=1S/C12H18AsNO/c1-9-10(12(15)14(4)5)7-6-8-11(9)13(2)3/h6-8H,1-5H3
InChIKeyHDEMYEQQAVAWBN-UHFFFAOYSA-N
XLogP1.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.20
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-dimethylarsanyl-N,N,2-trimethylbenzamide?
The IUPAC name of 3-dimethylarsanyl-N,N,2-trimethylbenzamide (CID 87584443) is 3-dimethylarsanyl-N,N,2-trimethylbenzamide.
What is the SMILES notation for 3-dimethylarsanyl-N,N,2-trimethylbenzamide?
The canonical SMILES for 3-dimethylarsanyl-N,N,2-trimethylbenzamide is Cc1c(C(=O)N(C)C)cccc1[As](C)C.
What is the InChIKey of 3-dimethylarsanyl-N,N,2-trimethylbenzamide?
The InChIKey is HDEMYEQQAVAWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18AsNO/c1-9-10(12(15)14(4)5)7-6-8-11(9)13(2)3/h6-8H,1-5H3.
What are the key properties of 3-dimethylarsanyl-N,N,2-trimethylbenzamide?
3-dimethylarsanyl-N,N,2-trimethylbenzamide has a molecular weight of 267.20 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dimethylarsanyl-N,N,2-trimethylbenzamide is sourced from PubChem (CID 87584443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).