6-(4-chlorobenzoyl)-3-methyl-1,3-benzoselenazol-2-one

C15H10ClNO2Se — CID 10089265

IUPAC6-(4-chlorobenzoyl)-3-methyl-1,3-benzoselenazol-2-one
SMILESCn1c(=O)[se]c2cc(C(=O)c3ccc(Cl)cc3)ccc21
InChIInChI=1S/C15H10ClNO2Se/c1-17-12-7-4-10(8-13(12)20-15(17)19)14(18)9-2-5-11(16)6-3-9/h2-8H,1H3
InChIKeyCNRKARZXJNJCBA-UHFFFAOYSA-N
MW350.66 g/mol
LogP2.48
Rot. Bonds2

About 6-(4-chlorobenzoyl)-3-methyl-1,3-benzoselenazol-2-one

6-(4-chlorobenzoyl)-3-methyl-1,3-benzoselenazol-2-one (PubChem CID 10089265) has the molecular formula C15H10ClNO2Se and a molecular weight of 350.66 g/mol. Its IUPAC name is 6-(4-chlorobenzoyl)-3-methyl-1,3-benzoselenazol-2-one.

Molecular Properties

Compound Name6-(4-chlorobenzoyl)-3-methyl-1,3-benzoselenazol-2-one
PubChem CID10089265
Molecular FormulaC15H10ClNO2Se
Molecular Weight350.66 g/mol
Exact Mass350.96
IUPAC Name6-(4-chlorobenzoyl)-3-methyl-1,3-benzoselenazol-2-one
SMILESCn1c(=O)[se]c2cc(C(=O)c3ccc(Cl)cc3)ccc21
InChIInChI=1S/C15H10ClNO2Se/c1-17-12-7-4-10(8-13(12)20-15(17)19)14(18)9-2-5-11(16)6-3-9/h2-8H,1H3
InChIKeyCNRKARZXJNJCBA-UHFFFAOYSA-N
XLogP2.48
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.66
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 6-(4-chlorobenzoyl)-3-methyl-1,3-benzoselenazol-2-one?
The IUPAC name of 6-(4-chlorobenzoyl)-3-methyl-1,3-benzoselenazol-2-one (CID 10089265) is 6-(4-chlorobenzoyl)-3-methyl-1,3-benzoselenazol-2-one.
What is the SMILES notation for 6-(4-chlorobenzoyl)-3-methyl-1,3-benzoselenazol-2-one?
The canonical SMILES for 6-(4-chlorobenzoyl)-3-methyl-1,3-benzoselenazol-2-one is Cn1c(=O)[se]c2cc(C(=O)c3ccc(Cl)cc3)ccc21.
What is the InChIKey of 6-(4-chlorobenzoyl)-3-methyl-1,3-benzoselenazol-2-one?
The InChIKey is CNRKARZXJNJCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO2Se/c1-17-12-7-4-10(8-13(12)20-15(17)19)14(18)9-2-5-11(16)6-3-9/h2-8H,1H3.
What are the key properties of 6-(4-chlorobenzoyl)-3-methyl-1,3-benzoselenazol-2-one?
6-(4-chlorobenzoyl)-3-methyl-1,3-benzoselenazol-2-one has a molecular weight of 350.66 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorobenzoyl)-3-methyl-1,3-benzoselenazol-2-one is sourced from PubChem (CID 10089265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).