4-chloro-N,N-diethylbenzenecarboselenoamide

C11H14ClNSe — CID 11818182

IUPAC4-chloro-N,N-diethylbenzenecarboselenoamide
SMILESCCN(CC)C(=[Se])c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNSe/c1-3-13(4-2)11(14)9-5-7-10(12)8-6-9/h5-8H,3-4H2,1-2H3
InChIKeyIVGAMRLHOGYKPU-UHFFFAOYSA-N
MW274.65 g/mol
LogP2.33
Rot. Bonds4

About 4-chloro-N,N-diethylbenzenecarboselenoamide

4-chloro-N,N-diethylbenzenecarboselenoamide (PubChem CID 11818182) has the molecular formula C11H14ClNSe and a molecular weight of 274.65 g/mol. Its IUPAC name is 4-chloro-N,N-diethylbenzenecarboselenoamide.

Molecular Properties

Compound Name4-chloro-N,N-diethylbenzenecarboselenoamide
PubChem CID11818182
Molecular FormulaC11H14ClNSe
Molecular Weight274.65 g/mol
Exact Mass275.00
IUPAC Name4-chloro-N,N-diethylbenzenecarboselenoamide
SMILESCCN(CC)C(=[Se])c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNSe/c1-3-13(4-2)11(14)9-5-7-10(12)8-6-9/h5-8H,3-4H2,1-2H3
InChIKeyIVGAMRLHOGYKPU-UHFFFAOYSA-N
XLogP2.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.65
LogP ≤ 52.33
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 4-chloro-N,N-diethylbenzenecarboselenoamide?
The IUPAC name of 4-chloro-N,N-diethylbenzenecarboselenoamide (CID 11818182) is 4-chloro-N,N-diethylbenzenecarboselenoamide.
What is the SMILES notation for 4-chloro-N,N-diethylbenzenecarboselenoamide?
The canonical SMILES for 4-chloro-N,N-diethylbenzenecarboselenoamide is CCN(CC)C(=[Se])c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N,N-diethylbenzenecarboselenoamide?
The InChIKey is IVGAMRLHOGYKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNSe/c1-3-13(4-2)11(14)9-5-7-10(12)8-6-9/h5-8H,3-4H2,1-2H3.
What are the key properties of 4-chloro-N,N-diethylbenzenecarboselenoamide?
4-chloro-N,N-diethylbenzenecarboselenoamide has a molecular weight of 274.65 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-diethylbenzenecarboselenoamide is sourced from PubChem (CID 11818182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).