5-[(2-bromophenoxy)methyl]-N-tert-butylfuran-2-carboxamide

C16H18BrNO3 — CID 1269680

IUPAC5-[(2-bromophenoxy)methyl]-N-tert-butylfuran-2-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc(COc2ccccc2Br)o1
InChIInChI=1S/C16H18BrNO3/c1-16(2,3)18-15(19)14-9-8-11(21-14)10-20-13-7-5-4-6-12(13)17/h4-9H,10H2,1-3H3,(H,18,19)
InChIKeyWLNDOGSIXYOQJG-UHFFFAOYSA-N
MW352.23 g/mol
LogP4.15
Rot. Bonds4

About 5-[(2-bromophenoxy)methyl]-N-tert-butylfuran-2-carboxamide

5-[(2-bromophenoxy)methyl]-N-tert-butylfuran-2-carboxamide (PubChem CID 1269680) has the molecular formula C16H18BrNO3 and a molecular weight of 352.23 g/mol. Its IUPAC name is 5-[(2-bromophenoxy)methyl]-N-tert-butylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[(2-bromophenoxy)methyl]-N-tert-butylfuran-2-carboxamide
PubChem CID1269680
Molecular FormulaC16H18BrNO3
Molecular Weight352.23 g/mol
Exact Mass351.05
IUPAC Name5-[(2-bromophenoxy)methyl]-N-tert-butylfuran-2-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc(COc2ccccc2Br)o1
InChIInChI=1S/C16H18BrNO3/c1-16(2,3)18-15(19)14-9-8-11(21-14)10-20-13-7-5-4-6-12(13)17/h4-9H,10H2,1-3H3,(H,18,19)
InChIKeyWLNDOGSIXYOQJG-UHFFFAOYSA-N
XLogP4.15
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromophenoxy)methyl]-N-tert-butylfuran-2-carboxamide?
The IUPAC name of 5-[(2-bromophenoxy)methyl]-N-tert-butylfuran-2-carboxamide (CID 1269680) is 5-[(2-bromophenoxy)methyl]-N-tert-butylfuran-2-carboxamide.
What is the SMILES notation for 5-[(2-bromophenoxy)methyl]-N-tert-butylfuran-2-carboxamide?
The canonical SMILES for 5-[(2-bromophenoxy)methyl]-N-tert-butylfuran-2-carboxamide is CC(C)(C)NC(=O)c1ccc(COc2ccccc2Br)o1.
What is the InChIKey of 5-[(2-bromophenoxy)methyl]-N-tert-butylfuran-2-carboxamide?
The InChIKey is WLNDOGSIXYOQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO3/c1-16(2,3)18-15(19)14-9-8-11(21-14)10-20-13-7-5-4-6-12(13)17/h4-9H,10H2,1-3H3,(H,18,19).
What are the key properties of 5-[(2-bromophenoxy)methyl]-N-tert-butylfuran-2-carboxamide?
5-[(2-bromophenoxy)methyl]-N-tert-butylfuran-2-carboxamide has a molecular weight of 352.23 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromophenoxy)methyl]-N-tert-butylfuran-2-carboxamide is sourced from PubChem (CID 1269680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).