benzyl N,N'-bis(furan-2-carbonyl)carbamimidoselenoate

C18H14N2O4Se — CID 51032935

IUPACbenzyl N,N'-bis(furan-2-carbonyl)carbamimidoselenoate
SMILESO=C(/N=C(\NC(=O)c1ccco1)[Se]Cc1ccccc1)c1ccco1
InChIInChI=1S/C18H14N2O4Se/c21-16(14-8-4-10-23-14)19-18(20-17(22)15-9-5-11-24-15)25-12-13-6-2-1-3-7-13/h1-11H,12H2,(H,19,20,21,22)
InChIKeyXOTZBZRECHMAST-UHFFFAOYSA-N
MW401.28 g/mol
LogP2.70
Rot. Bonds5

About benzyl N,N'-bis(furan-2-carbonyl)carbamimidoselenoate

benzyl N,N'-bis(furan-2-carbonyl)carbamimidoselenoate (PubChem CID 51032935) has the molecular formula C18H14N2O4Se and a molecular weight of 401.28 g/mol. Its IUPAC name is benzyl N,N'-bis(furan-2-carbonyl)carbamimidoselenoate.

Molecular Properties

Compound Namebenzyl N,N'-bis(furan-2-carbonyl)carbamimidoselenoate
PubChem CID51032935
Molecular FormulaC18H14N2O4Se
Molecular Weight401.28 g/mol
Exact Mass402.01
IUPAC Namebenzyl N,N'-bis(furan-2-carbonyl)carbamimidoselenoate
SMILESO=C(/N=C(\NC(=O)c1ccco1)[Se]Cc1ccccc1)c1ccco1
InChIInChI=1S/C18H14N2O4Se/c21-16(14-8-4-10-23-14)19-18(20-17(22)15-9-5-11-24-15)25-12-13-6-2-1-3-7-13/h1-11H,12H2,(H,19,20,21,22)
InChIKeyXOTZBZRECHMAST-UHFFFAOYSA-N
XLogP2.70
TPSA84.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.28
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[benzyl(methyl)carbamothioyl]furan-2-carboxamide
CID 923050
N-[(2S)-1-phenylpropan-2-yl]furan-2-carboxamide
CID 768448
2-methoxyethyl N-benzyl-N'-(furan-2-carbonyl)-N-methylcarbamimidate
CID 7296039
benzyl N'-benzamido-N-(furan-2-carbonyl)carbamimidothioate
CID 137310004
N-(ethylcarbamoyl)furan-2-carboxamide
CID 131178690
S-[2-(furan-2-carbonylamino)-2-oxoethyl] ethanethioate
CID 23347862
N-[methyl(phenyl)carbamoyl]furan-2-carboxamide
CID 110866312
furan-2-carboxylic acid;silver
CID 87285311
N-(diphenyl-λ4-sulfanylidene)furan-2-carboxamide
CID 5057066
N-(2-hydroxyphenyl)furan-2-carboxamide
CID 761889
N-(diaminomethylideneamino)furan-2-carboxamide
CID 15761647
N-[(2-chlorophenyl)carbamoyl]furan-2-carboxamide
CID 110866393

Frequently Asked Questions

What is the IUPAC name of benzyl N,N'-bis(furan-2-carbonyl)carbamimidoselenoate?
The IUPAC name of benzyl N,N'-bis(furan-2-carbonyl)carbamimidoselenoate (CID 51032935) is benzyl N,N'-bis(furan-2-carbonyl)carbamimidoselenoate.
What is the SMILES notation for benzyl N,N'-bis(furan-2-carbonyl)carbamimidoselenoate?
The canonical SMILES for benzyl N,N'-bis(furan-2-carbonyl)carbamimidoselenoate is O=C(/N=C(\NC(=O)c1ccco1)[Se]Cc1ccccc1)c1ccco1.
What is the InChIKey of benzyl N,N'-bis(furan-2-carbonyl)carbamimidoselenoate?
The InChIKey is XOTZBZRECHMAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O4Se/c21-16(14-8-4-10-23-14)19-18(20-17(22)15-9-5-11-24-15)25-12-13-6-2-1-3-7-13/h1-11H,12H2,(H,19,20,21,22).
What are the key properties of benzyl N,N'-bis(furan-2-carbonyl)carbamimidoselenoate?
benzyl N,N'-bis(furan-2-carbonyl)carbamimidoselenoate has a molecular weight of 401.28 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N,N'-bis(furan-2-carbonyl)carbamimidoselenoate is sourced from PubChem (CID 51032935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).