methyl 5-(N-phenylanilino)selenophene-2-carboxylate

C18H15NO2Se — CID 11302720

IUPACmethyl 5-(N-phenylanilino)selenophene-2-carboxylate
SMILESCOC(=O)c1ccc(N(c2ccccc2)c2ccccc2)[se]1
InChIInChI=1S/C18H15NO2Se/c1-21-18(20)16-12-13-17(22-16)19(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-13H,1H3
InChIKeyLYSWRFQBPWKIBW-UHFFFAOYSA-N
MW356.28 g/mol
LogP4.00
Rot. Bonds4

About methyl 5-(N-phenylanilino)selenophene-2-carboxylate

methyl 5-(N-phenylanilino)selenophene-2-carboxylate (PubChem CID 11302720) has the molecular formula C18H15NO2Se and a molecular weight of 356.28 g/mol. Its IUPAC name is methyl 5-(N-phenylanilino)selenophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(N-phenylanilino)selenophene-2-carboxylate
PubChem CID11302720
Molecular FormulaC18H15NO2Se
Molecular Weight356.28 g/mol
Exact Mass357.03
IUPAC Namemethyl 5-(N-phenylanilino)selenophene-2-carboxylate
SMILESCOC(=O)c1ccc(N(c2ccccc2)c2ccccc2)[se]1
InChIInChI=1S/C18H15NO2Se/c1-21-18(20)16-12-13-17(22-16)19(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-13H,1H3
InChIKeyLYSWRFQBPWKIBW-UHFFFAOYSA-N
XLogP4.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.28
LogP ≤ 54.00
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 methyl 5-(N-phenylanilino)selenophene-2-carboxylate?
The IUPAC name of methyl 5-(N-phenylanilino)selenophene-2-carboxylate (CID 11302720) is methyl 5-(N-phenylanilino)selenophene-2-carboxylate.
What is the SMILES notation for methyl 5-(N-phenylanilino)selenophene-2-carboxylate?
The canonical SMILES for methyl 5-(N-phenylanilino)selenophene-2-carboxylate is COC(=O)c1ccc(N(c2ccccc2)c2ccccc2)[se]1.
What is the InChIKey of methyl 5-(N-phenylanilino)selenophene-2-carboxylate?
The InChIKey is LYSWRFQBPWKIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2Se/c1-21-18(20)16-12-13-17(22-16)19(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-13H,1H3.
What are the key properties of methyl 5-(N-phenylanilino)selenophene-2-carboxylate?
methyl 5-(N-phenylanilino)selenophene-2-carboxylate has a molecular weight of 356.28 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(N-phenylanilino)selenophene-2-carboxylate is sourced from PubChem (CID 11302720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).