Se-methyl N-(4-chlorophenyl)carbamoselenoate

C8H8ClNOSe — CID 11831802

IUPACSe-methyl N-(4-chlorophenyl)carbamoselenoate
SMILESC[Se]C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C8H8ClNOSe/c1-12-8(11)10-7-4-2-6(9)3-5-7/h2-5H,1H3,(H,10,11)
InChIKeyRKBKRNWHOIFYSR-UHFFFAOYSA-N
MW248.57 g/mol
LogP2.62
Rot. Bonds2

About Se-methyl N-(4-chlorophenyl)carbamoselenoate

Se-methyl N-(4-chlorophenyl)carbamoselenoate (PubChem CID 11831802) has the molecular formula C8H8ClNOSe and a molecular weight of 248.57 g/mol. Its IUPAC name is Se-methyl N-(4-chlorophenyl)carbamoselenoate.

Molecular Properties

Compound NameSe-methyl N-(4-chlorophenyl)carbamoselenoate
PubChem CID11831802
Molecular FormulaC8H8ClNOSe
Molecular Weight248.57 g/mol
Exact Mass248.95
IUPAC NameSe-methyl N-(4-chlorophenyl)carbamoselenoate
SMILESC[Se]C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C8H8ClNOSe/c1-12-8(11)10-7-4-2-6(9)3-5-7/h2-5H,1H3,(H,10,11)
InChIKeyRKBKRNWHOIFYSR-UHFFFAOYSA-N
XLogP2.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.57
LogP ≤ 52.62
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

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CID 4252596
N-[4-(4-chloroanilino)phenyl]acetamide
CID 71397904
1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)urea
CID 769283
3,5-dichloro-N-(4-chlorophenyl)benzamide
CID 3382216
potassium (4-chlorophenyl)carbamoyl-methylazanide
CID 143112884
2,2,2-tribromo-N-(4-chlorophenyl)acetamide
CID 10916515
N,N'-bis(4-chlorophenyl)-3-oxopentanediamide
CID 12654887
(2R)-2-amino-N-(4-chlorophenyl)propanamide
CID 7183165
N-(4-chlorophenyl)-2-iodopropanamide
CID 102547197
1-tert-butyl-3-(4-chlorophenyl)urea
CID 709303
N-(4-acetylphenyl)-N'-(4-chlorophenyl)oxamide
CID 108514724
(2R)-N-(4-chlorophenyl)-2-(3,5-dichlorophenoxy)propanamide
CID 7467192

Frequently Asked Questions

What is the IUPAC name of Se-methyl N-(4-chlorophenyl)carbamoselenoate?
The IUPAC name of Se-methyl N-(4-chlorophenyl)carbamoselenoate (CID 11831802) is Se-methyl N-(4-chlorophenyl)carbamoselenoate.
What is the SMILES notation for Se-methyl N-(4-chlorophenyl)carbamoselenoate?
The canonical SMILES for Se-methyl N-(4-chlorophenyl)carbamoselenoate is C[Se]C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of Se-methyl N-(4-chlorophenyl)carbamoselenoate?
The InChIKey is RKBKRNWHOIFYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNOSe/c1-12-8(11)10-7-4-2-6(9)3-5-7/h2-5H,1H3,(H,10,11).
What are the key properties of Se-methyl N-(4-chlorophenyl)carbamoselenoate?
Se-methyl N-(4-chlorophenyl)carbamoselenoate has a molecular weight of 248.57 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Se-methyl N-(4-chlorophenyl)carbamoselenoate is sourced from PubChem (CID 11831802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).