2-[(4-chlorophenyl)methyl]-1,2-benzoselenazol-3-one

C14H10ClNOSe — CID 164886526

IUPAC2-[(4-chlorophenyl)methyl]-1,2-benzoselenazol-3-one
SMILESO=c1c2ccccc2[se]n1Cc1ccc(Cl)cc1
InChIInChI=1S/C14H10ClNOSe/c15-11-7-5-10(6-8-11)9-16-14(17)12-3-1-2-4-13(12)18-16/h1-8H,9H2
InChIKeyXZWKXIFLMYRVTK-UHFFFAOYSA-N
MW322.65 g/mol
LogP2.76
Rot. Bonds2

About 2-[(4-chlorophenyl)methyl]-1,2-benzoselenazol-3-one

2-[(4-chlorophenyl)methyl]-1,2-benzoselenazol-3-one (PubChem CID 164886526) has the molecular formula C14H10ClNOSe and a molecular weight of 322.65 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-1,2-benzoselenazol-3-one.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-1,2-benzoselenazol-3-one
PubChem CID164886526
Molecular FormulaC14H10ClNOSe
Molecular Weight322.65 g/mol
Exact Mass322.96
IUPAC Name2-[(4-chlorophenyl)methyl]-1,2-benzoselenazol-3-one
SMILESO=c1c2ccccc2[se]n1Cc1ccc(Cl)cc1
InChIInChI=1S/C14H10ClNOSe/c15-11-7-5-10(6-8-11)9-16-14(17)12-3-1-2-4-13(12)18-16/h1-8H,9H2
InChIKeyXZWKXIFLMYRVTK-UHFFFAOYSA-N
XLogP2.76
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.65
LogP ≤ 52.76
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-benzyl-4-chloro-N-cyclohexylbenzamide
CID 24752728
4-Chloro-N-phenethylbenzamide
CID 306479
N-benzyl-4-chlorobenzamide
CID 346668
4-chloro-N-(2-oxo-2-phenylethyl)benzamide
CID 832101
6-Chloro-2,3-dihydro-1H-isoindol-1-one
CID 12496475
N-Benzyl-2-chloro-benzamide
CID 347073
4-Chloro-N,N-dimethylbenzamide
CID 84180
1-(4-Chlorobenzoyl)-4-methylpiperazine
CID 792974
N-butyl-4-chloro-N-ethylbenzamide
CID 2164652
2-benzyl-1,2-benzisoselenazole-3(2H)-one
CID 13003166
4-Chloro-N-cyclohexylbenzamide
CID 225461
N-Benzyl-4-chloro-N-methylbenzamide
CID 306478

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-1,2-benzoselenazol-3-one?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-1,2-benzoselenazol-3-one (CID 164886526) is 2-[(4-chlorophenyl)methyl]-1,2-benzoselenazol-3-one.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-1,2-benzoselenazol-3-one?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-1,2-benzoselenazol-3-one is O=c1c2ccccc2[se]n1Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-1,2-benzoselenazol-3-one?
The InChIKey is XZWKXIFLMYRVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNOSe/c15-11-7-5-10(6-8-11)9-16-14(17)12-3-1-2-4-13(12)18-16/h1-8H,9H2.
What are the key properties of 2-[(4-chlorophenyl)methyl]-1,2-benzoselenazol-3-one?
2-[(4-chlorophenyl)methyl]-1,2-benzoselenazol-3-one has a molecular weight of 322.65 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-1,2-benzoselenazol-3-one is sourced from PubChem (CID 164886526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).