1-(2-chlorophenoselenazin-10-yl)-2-phenylethanone

C20H14ClNOSe — CID 122387041

IUPAC1-(2-chlorophenoselenazin-10-yl)-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1c2ccccc2[Se]c2ccc(Cl)cc21
InChIInChI=1S/C20H14ClNOSe/c21-15-10-11-19-17(13-15)22(16-8-4-5-9-18(16)24-19)20(23)12-14-6-2-1-3-7-14/h1-11,13H,12H2
InChIKeyVMHLPSJKQKSYDH-UHFFFAOYSA-N
MW398.75 g/mol
LogP3.22
Rot. Bonds2

About 1-(2-chlorophenoselenazin-10-yl)-2-phenylethanone

1-(2-chlorophenoselenazin-10-yl)-2-phenylethanone (PubChem CID 122387041) has the molecular formula C20H14ClNOSe and a molecular weight of 398.75 g/mol. Its IUPAC name is 1-(2-chlorophenoselenazin-10-yl)-2-phenylethanone.

Molecular Properties

Compound Name1-(2-chlorophenoselenazin-10-yl)-2-phenylethanone
PubChem CID122387041
Molecular FormulaC20H14ClNOSe
Molecular Weight398.75 g/mol
Exact Mass398.99
IUPAC Name1-(2-chlorophenoselenazin-10-yl)-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1c2ccccc2[Se]c2ccc(Cl)cc21
InChIInChI=1S/C20H14ClNOSe/c21-15-10-11-19-17(13-15)22(16-8-4-5-9-18(16)24-19)20(23)12-14-6-2-1-3-7-14/h1-11,13H,12H2
InChIKeyVMHLPSJKQKSYDH-UHFFFAOYSA-N
XLogP3.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.75
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-2-pyrrol-1-ylphenyl)-2-phenylacetamide
CID 56582364
2-chloro-1-(2-chlorophenoxazin-10-yl)ethanone
CID 10803696
3-amino-1-(2-chlorophenothiazin-10-yl)propan-1-one;hydrochloride
CID 24747135
1-[4-(7-chloroquinolin-1-ium-4-yl)piperazin-1-yl]-2-phenylethanone
CID 7211832
2-phenyl-1-(2,4,6-trichlorophenyl)ethanone
CID 105349057
1-indol-1-yl-2-phenylethanone
CID 118536016
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-phenylacetamide
CID 7406867
1-[4-(5-chloro-2-cyclobutylphenyl)-2-methylpiperazin-1-yl]-2-phenylethanone
CID 143233119
1-(2-chlorophenothiazin-10-yl)-2-(dimethylamino)ethanone
CID 709851
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-phenylacetamide
CID 2449630
zinc;2-phenylacetyl chloride;dichloride
CID 175497500
1-benzyl-3-[(5-chloro-2-fluorophenyl)methyl]urea
CID 110775324

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenoselenazin-10-yl)-2-phenylethanone?
The IUPAC name of 1-(2-chlorophenoselenazin-10-yl)-2-phenylethanone (CID 122387041) is 1-(2-chlorophenoselenazin-10-yl)-2-phenylethanone.
What is the SMILES notation for 1-(2-chlorophenoselenazin-10-yl)-2-phenylethanone?
The canonical SMILES for 1-(2-chlorophenoselenazin-10-yl)-2-phenylethanone is O=C(Cc1ccccc1)N1c2ccccc2[Se]c2ccc(Cl)cc21.
What is the InChIKey of 1-(2-chlorophenoselenazin-10-yl)-2-phenylethanone?
The InChIKey is VMHLPSJKQKSYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClNOSe/c21-15-10-11-19-17(13-15)22(16-8-4-5-9-18(16)24-19)20(23)12-14-6-2-1-3-7-14/h1-11,13H,12H2.
What are the key properties of 1-(2-chlorophenoselenazin-10-yl)-2-phenylethanone?
1-(2-chlorophenoselenazin-10-yl)-2-phenylethanone has a molecular weight of 398.75 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenoselenazin-10-yl)-2-phenylethanone is sourced from PubChem (CID 122387041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).