N-[4-(4-chlorophenyl)-3-(4-methoxyphenyl)-1,3-selenazol-2-ylidene]benzamide

C23H17ClN2O2Se — CID 139221174

IUPACN-[4-(4-chlorophenyl)-3-(4-methoxyphenyl)-1,3-selenazol-2-ylidene]benzamide
SMILESCOc1ccc(-n2c(-c3ccc(Cl)cc3)c[se]/c2=N\C(=O)c2ccccc2)cc1
InChIInChI=1S/C23H17ClN2O2Se/c1-28-20-13-11-19(12-14-20)26-21(16-7-9-18(24)10-8-16)15-29-23(26)25-22(27)17-5-3-2-4-6-17/h2-15H,1H3/b25-23-
InChIKeyVZKOZLHALJUQGX-BZZOAKBMSA-N
MW467.81 g/mol
LogP4.60
Rot. Bonds4

About N-[4-(4-chlorophenyl)-3-(4-methoxyphenyl)-1,3-selenazol-2-ylidene]benzamide

N-[4-(4-chlorophenyl)-3-(4-methoxyphenyl)-1,3-selenazol-2-ylidene]benzamide (PubChem CID 139221174) has the molecular formula C23H17ClN2O2Se and a molecular weight of 467.81 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-3-(4-methoxyphenyl)-1,3-selenazol-2-ylidene]benzamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-3-(4-methoxyphenyl)-1,3-selenazol-2-ylidene]benzamide
PubChem CID139221174
Molecular FormulaC23H17ClN2O2Se
Molecular Weight467.81 g/mol
Exact Mass468.01
IUPAC NameN-[4-(4-chlorophenyl)-3-(4-methoxyphenyl)-1,3-selenazol-2-ylidene]benzamide
SMILESCOc1ccc(-n2c(-c3ccc(Cl)cc3)c[se]/c2=N\C(=O)c2ccccc2)cc1
InChIInChI=1S/C23H17ClN2O2Se/c1-28-20-13-11-19(12-14-20)26-21(16-7-9-18(24)10-8-16)15-29-23(26)25-22(27)17-5-3-2-4-6-17/h2-15H,1H3/b25-23-
InChIKeyVZKOZLHALJUQGX-BZZOAKBMSA-N
XLogP4.60
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.81
LogP ≤ 54.60
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 N-[4-(4-chlorophenyl)-3-(4-methoxyphenyl)-1,3-selenazol-2-ylidene]benzamide?
The IUPAC name of N-[4-(4-chlorophenyl)-3-(4-methoxyphenyl)-1,3-selenazol-2-ylidene]benzamide (CID 139221174) is N-[4-(4-chlorophenyl)-3-(4-methoxyphenyl)-1,3-selenazol-2-ylidene]benzamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-3-(4-methoxyphenyl)-1,3-selenazol-2-ylidene]benzamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-3-(4-methoxyphenyl)-1,3-selenazol-2-ylidene]benzamide is COc1ccc(-n2c(-c3ccc(Cl)cc3)c[se]/c2=N\C(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-(4-chlorophenyl)-3-(4-methoxyphenyl)-1,3-selenazol-2-ylidene]benzamide?
The InChIKey is VZKOZLHALJUQGX-BZZOAKBMSA-N. The full InChI is InChI=1S/C23H17ClN2O2Se/c1-28-20-13-11-19(12-14-20)26-21(16-7-9-18(24)10-8-16)15-29-23(26)25-22(27)17-5-3-2-4-6-17/h2-15H,1H3/b25-23-.
What are the key properties of N-[4-(4-chlorophenyl)-3-(4-methoxyphenyl)-1,3-selenazol-2-ylidene]benzamide?
N-[4-(4-chlorophenyl)-3-(4-methoxyphenyl)-1,3-selenazol-2-ylidene]benzamide has a molecular weight of 467.81 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-3-(4-methoxyphenyl)-1,3-selenazol-2-ylidene]benzamide is sourced from PubChem (CID 139221174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).