5-[(2-bromophenoxy)methyl]-N-cyclopentylfuran-2-carboxamide

C17H18BrNO3 — CID 1269619

IUPAC5-[(2-bromophenoxy)methyl]-N-cyclopentylfuran-2-carboxamide
SMILESO=C(NC1CCCC1)c1ccc(COc2ccccc2Br)o1
InChIInChI=1S/C17H18BrNO3/c18-14-7-3-4-8-15(14)21-11-13-9-10-16(22-13)17(20)19-12-5-1-2-6-12/h3-4,7-10,12H,1-2,5-6,11H2,(H,19,20)
InChIKeyXMWNVQVSZDYSJU-UHFFFAOYSA-N
MW364.24 g/mol
LogP4.29
Rot. Bonds5

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

5-[(2-bromophenoxy)methyl]-N-cyclopentylfuran-2-carboxamide (PubChem CID 1269619) has the molecular formula C17H18BrNO3 and a molecular weight of 364.24 g/mol. Its IUPAC name is 5-[(2-bromophenoxy)methyl]-N-cyclopentylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[(2-bromophenoxy)methyl]-N-cyclopentylfuran-2-carboxamide
PubChem CID1269619
Molecular FormulaC17H18BrNO3
Molecular Weight364.24 g/mol
Exact Mass363.05
IUPAC Name5-[(2-bromophenoxy)methyl]-N-cyclopentylfuran-2-carboxamide
SMILESO=C(NC1CCCC1)c1ccc(COc2ccccc2Br)o1
InChIInChI=1S/C17H18BrNO3/c18-14-7-3-4-8-15(14)21-11-13-9-10-16(22-13)17(20)19-12-5-1-2-6-12/h3-4,7-10,12H,1-2,5-6,11H2,(H,19,20)
InChIKeyXMWNVQVSZDYSJU-UHFFFAOYSA-N
XLogP4.29
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-ethoxyphenoxy)methyl]-N-isopropyl-2-furamide
CID 892168
(5-((2-Bromophenoxy)methyl)furan-2-yl)(2,6-dimethylmorpholino)methanone
CID 2942175
5-[(4-methylphenoxy)methyl]-N-propyl-2-furamide
CID 2200397
N-(oxolan-2-ylmethyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 24980461
5-Bromo-N-cyclohexyl-2-furamide
CID 600329
N-cyclohexyl-5-[(2,2,2-trifluoroethoxy)methyl]furan-2-carboxamide
CID 893108
5-[(2-bromophenoxy)methyl]-N-(tert-butyl)-2-furamide
CID 1269680
5-[(4-fluorophenoxy)methyl]-N-(tetrahydro-2-furanylmethyl)-2-furamide
CID 2941349
N-cyclopropyl-5-[(4-fluorophenoxy)methyl]-2-furamide
CID 3245602
N-cyclohexyl-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 717081
5-[(2-bromophenoxy)methyl]-N,N-diethyl-2-furamide
CID 1269686
2-(2-bromophenoxy)-N-(2-furylmethyl)acetamide
CID 675220

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromophenoxy)methyl]-N-cyclopentylfuran-2-carboxamide?
The IUPAC name of 5-[(2-bromophenoxy)methyl]-N-cyclopentylfuran-2-carboxamide (CID 1269619) is 5-[(2-bromophenoxy)methyl]-N-cyclopentylfuran-2-carboxamide.
What is the SMILES notation for 5-[(2-bromophenoxy)methyl]-N-cyclopentylfuran-2-carboxamide?
The canonical SMILES for 5-[(2-bromophenoxy)methyl]-N-cyclopentylfuran-2-carboxamide is O=C(NC1CCCC1)c1ccc(COc2ccccc2Br)o1.
What is the InChIKey of 5-[(2-bromophenoxy)methyl]-N-cyclopentylfuran-2-carboxamide?
The InChIKey is XMWNVQVSZDYSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO3/c18-14-7-3-4-8-15(14)21-11-13-9-10-16(22-13)17(20)19-12-5-1-2-6-12/h3-4,7-10,12H,1-2,5-6,11H2,(H,19,20).
What are the key properties of 5-[(2-bromophenoxy)methyl]-N-cyclopentylfuran-2-carboxamide?
5-[(2-bromophenoxy)methyl]-N-cyclopentylfuran-2-carboxamide has a molecular weight of 364.24 g/mol, XLogP of 4.29, 5 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-cyclopentylfuran-2-carboxamide is sourced from PubChem (CID 1269619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).