4-bromo-N-[5-(furan-2-yl)-4-hydroxy-3-trimethylsilyloxyfuran-2-yl]butanamide

C15H20BrNO5Si — CID 90080936

IUPAC4-bromo-N-[5-(furan-2-yl)-4-hydroxy-3-trimethylsilyloxyfuran-2-yl]butanamide
SMILESC[Si](C)(C)Oc1c(NC(=O)CCCBr)oc(-c2ccco2)c1O
InChIInChI=1S/C15H20BrNO5Si/c1-23(2,3)22-14-12(19)13(10-6-5-9-20-10)21-15(14)17-11(18)7-4-8-16/h5-6,9,19H,4,7-8H2,1-3H3,(H,17,18)
InChIKeyTVWPQCIGUUWNGH-UHFFFAOYSA-N
MW402.32 g/mol
LogP4.57
Rot. Bonds7

About 4-bromo-N-[5-(furan-2-yl)-4-hydroxy-3-trimethylsilyloxyfuran-2-yl]butanamide

4-bromo-N-[5-(furan-2-yl)-4-hydroxy-3-trimethylsilyloxyfuran-2-yl]butanamide (PubChem CID 90080936) has the molecular formula C15H20BrNO5Si and a molecular weight of 402.32 g/mol. Its IUPAC name is 4-bromo-N-[5-(furan-2-yl)-4-hydroxy-3-trimethylsilyloxyfuran-2-yl]butanamide.

Molecular Properties

Compound Name4-bromo-N-[5-(furan-2-yl)-4-hydroxy-3-trimethylsilyloxyfuran-2-yl]butanamide
PubChem CID90080936
Molecular FormulaC15H20BrNO5Si
Molecular Weight402.32 g/mol
Exact Mass401.03
IUPAC Name4-bromo-N-[5-(furan-2-yl)-4-hydroxy-3-trimethylsilyloxyfuran-2-yl]butanamide
SMILESC[Si](C)(C)Oc1c(NC(=O)CCCBr)oc(-c2ccco2)c1O
InChIInChI=1S/C15H20BrNO5Si/c1-23(2,3)22-14-12(19)13(10-6-5-9-20-10)21-15(14)17-11(18)7-4-8-16/h5-6,9,19H,4,7-8H2,1-3H3,(H,17,18)
InChIKeyTVWPQCIGUUWNGH-UHFFFAOYSA-N
XLogP4.57
TPSA84.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.32
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[5-(furan-2-yl)-4-hydroxy-3-trimethylsilyloxyfuran-2-yl]butanamide?
The IUPAC name of 4-bromo-N-[5-(furan-2-yl)-4-hydroxy-3-trimethylsilyloxyfuran-2-yl]butanamide (CID 90080936) is 4-bromo-N-[5-(furan-2-yl)-4-hydroxy-3-trimethylsilyloxyfuran-2-yl]butanamide.
What is the SMILES notation for 4-bromo-N-[5-(furan-2-yl)-4-hydroxy-3-trimethylsilyloxyfuran-2-yl]butanamide?
The canonical SMILES for 4-bromo-N-[5-(furan-2-yl)-4-hydroxy-3-trimethylsilyloxyfuran-2-yl]butanamide is C[Si](C)(C)Oc1c(NC(=O)CCCBr)oc(-c2ccco2)c1O.
What is the InChIKey of 4-bromo-N-[5-(furan-2-yl)-4-hydroxy-3-trimethylsilyloxyfuran-2-yl]butanamide?
The InChIKey is TVWPQCIGUUWNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO5Si/c1-23(2,3)22-14-12(19)13(10-6-5-9-20-10)21-15(14)17-11(18)7-4-8-16/h5-6,9,19H,4,7-8H2,1-3H3,(H,17,18).
What are the key properties of 4-bromo-N-[5-(furan-2-yl)-4-hydroxy-3-trimethylsilyloxyfuran-2-yl]butanamide?
4-bromo-N-[5-(furan-2-yl)-4-hydroxy-3-trimethylsilyloxyfuran-2-yl]butanamide has a molecular weight of 402.32 g/mol, XLogP of 4.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[5-(furan-2-yl)-4-hydroxy-3-trimethylsilyloxyfuran-2-yl]butanamide is sourced from PubChem (CID 90080936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).