5-bromo-N-[2-(2-methoxyphenoxy)ethyl]furan-2-carboxamide

C14H14BrNO4 — CID 51157250

IUPAC5-bromo-N-[2-(2-methoxyphenoxy)ethyl]furan-2-carboxamide
SMILESCOc1ccccc1OCCNC(=O)c1ccc(Br)o1
InChIInChI=1S/C14H14BrNO4/c1-18-10-4-2-3-5-11(10)19-9-8-16-14(17)12-6-7-13(15)20-12/h2-7H,8-9H2,1H3,(H,16,17)
InChIKeyBNFKHERJRWHZKL-UHFFFAOYSA-N
MW340.17 g/mol
LogP2.86
Rot. Bonds6

About 5-bromo-N-[2-(2-methoxyphenoxy)ethyl]furan-2-carboxamide

5-bromo-N-[2-(2-methoxyphenoxy)ethyl]furan-2-carboxamide (PubChem CID 51157250) has the molecular formula C14H14BrNO4 and a molecular weight of 340.17 g/mol. Its IUPAC name is 5-bromo-N-[2-(2-methoxyphenoxy)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(2-methoxyphenoxy)ethyl]furan-2-carboxamide
PubChem CID51157250
Molecular FormulaC14H14BrNO4
Molecular Weight340.17 g/mol
Exact Mass339.01
IUPAC Name5-bromo-N-[2-(2-methoxyphenoxy)ethyl]furan-2-carboxamide
SMILESCOc1ccccc1OCCNC(=O)c1ccc(Br)o1
InChIInChI=1S/C14H14BrNO4/c1-18-10-4-2-3-5-11(10)19-9-8-16-14(17)12-6-7-13(15)20-12/h2-7H,8-9H2,1H3,(H,16,17)
InChIKeyBNFKHERJRWHZKL-UHFFFAOYSA-N
XLogP2.86
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.17
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-[4-(2-methoxyphenoxy)but-2-ynyl]furan-2-carboxamide
CID 71802916
5-bromo-N-[2-(4-methylphenoxy)ethyl]furan-2-carboxamide
CID 18113432
5-bromo-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]furan-2-carboxamide
CID 110795187
2-(2-bromophenyl)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 113099769
5-bromo-N-[2-(4-methoxy-3-methylphenyl)ethyl]furan-2-carboxamide
CID 110795131
2-fluoro-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 26555567
N-[2-(2-methoxyphenoxy)ethyl]-4-(methylsulfonylmethyl)benzamide
CID 27823905
5-bromo-N-[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]furan-2-carboxamide
CID 55580820
5-bromo-N-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]furan-2-carboxamide
CID 108540374
5-bromo-N-[2-[(4-methoxybenzoyl)amino]ethyl]furan-2-carboxamide
CID 108537811
N-[2-(2-methoxyphenoxy)ethyl]-2-methylpropanamide
CID 113099759
5-bromo-N-[3-(2-phenylethoxy)propyl]furan-2-carboxamide
CID 47060838

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(2-methoxyphenoxy)ethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(2-methoxyphenoxy)ethyl]furan-2-carboxamide (CID 51157250) is 5-bromo-N-[2-(2-methoxyphenoxy)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(2-methoxyphenoxy)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(2-methoxyphenoxy)ethyl]furan-2-carboxamide is COc1ccccc1OCCNC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[2-(2-methoxyphenoxy)ethyl]furan-2-carboxamide?
The InChIKey is BNFKHERJRWHZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO4/c1-18-10-4-2-3-5-11(10)19-9-8-16-14(17)12-6-7-13(15)20-12/h2-7H,8-9H2,1H3,(H,16,17).
What are the key properties of 5-bromo-N-[2-(2-methoxyphenoxy)ethyl]furan-2-carboxamide?
5-bromo-N-[2-(2-methoxyphenoxy)ethyl]furan-2-carboxamide has a molecular weight of 340.17 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(2-methoxyphenoxy)ethyl]furan-2-carboxamide is sourced from PubChem (CID 51157250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).