5-[(2-bromophenoxy)methyl]-N-(3-ethoxypropyl)furan-2-carboxamide

C17H20BrNO4 — CID 19450396

IUPAC5-[(2-bromophenoxy)methyl]-N-(3-ethoxypropyl)furan-2-carboxamide
SMILESCCOCCCNC(=O)c1ccc(COc2ccccc2Br)o1
InChIInChI=1S/C17H20BrNO4/c1-2-21-11-5-10-19-17(20)16-9-8-13(23-16)12-22-15-7-4-3-6-14(15)18/h3-4,6-9H,2,5,10-12H2,1H3,(H,19,20)
InChIKeyIULDSNVDTUHUDB-UHFFFAOYSA-N
MW382.25 g/mol
LogP3.78
Rot. Bonds9

About 5-[(2-bromophenoxy)methyl]-N-(3-ethoxypropyl)furan-2-carboxamide

5-[(2-bromophenoxy)methyl]-N-(3-ethoxypropyl)furan-2-carboxamide (PubChem CID 19450396) has the molecular formula C17H20BrNO4 and a molecular weight of 382.25 g/mol. Its IUPAC name is 5-[(2-bromophenoxy)methyl]-N-(3-ethoxypropyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2-bromophenoxy)methyl]-N-(3-ethoxypropyl)furan-2-carboxamide
PubChem CID19450396
Molecular FormulaC17H20BrNO4
Molecular Weight382.25 g/mol
Exact Mass381.06
IUPAC Name5-[(2-bromophenoxy)methyl]-N-(3-ethoxypropyl)furan-2-carboxamide
SMILESCCOCCCNC(=O)c1ccc(COc2ccccc2Br)o1
InChIInChI=1S/C17H20BrNO4/c1-2-21-11-5-10-19-17(20)16-9-8-13(23-16)12-22-15-7-4-3-6-14(15)18/h3-4,6-9H,2,5,10-12H2,1H3,(H,19,20)
InChIKeyIULDSNVDTUHUDB-UHFFFAOYSA-N
XLogP3.78
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.25
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[(2-bromophenoxy)methyl]-N-(3-ethoxypropyl)furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(2-bromophenoxy)methyl]-N-(2-hydroxyethyl)furan-2-carboxamide
CID 19450276
N-(4-acetamidophenyl)-5-[(2-bromophenoxy)methyl]furan-2-carboxamide
CID 1002606
N-butyl-5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxamide
CID 19415847
5-[(2-bromophenoxy)methyl]-N-(2-methoxyphenyl)furan-2-carboxamide
CID 1012463
5-[(2-bromophenoxy)methyl]-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide
CID 110279752
5-[(2-bromophenoxy)methyl]-N-(4-methylpiperazin-4-ium-1-yl)furan-2-carboxamide
CID 4748985
5-[(2-bromophenoxy)methyl]-N-(2,3-dimethylphenyl)furan-2-carboxamide
CID 19448612
N-hexyl-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19446298
5-[(2-methylphenoxy)methyl]-N-(2-sulfanylethyl)furan-2-carboxamide
CID 19455044
5-[(2-ethoxyphenoxy)methyl]furan-2-carbohydrazide
CID 7018661
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-ethoxypropyl)furan-2-carboxamide
CID 19454971
N-butyl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19452808

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromophenoxy)methyl]-N-(3-ethoxypropyl)furan-2-carboxamide?
The IUPAC name of 5-[(2-bromophenoxy)methyl]-N-(3-ethoxypropyl)furan-2-carboxamide (CID 19450396) is 5-[(2-bromophenoxy)methyl]-N-(3-ethoxypropyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(2-bromophenoxy)methyl]-N-(3-ethoxypropyl)furan-2-carboxamide?
The canonical SMILES for 5-[(2-bromophenoxy)methyl]-N-(3-ethoxypropyl)furan-2-carboxamide is CCOCCCNC(=O)c1ccc(COc2ccccc2Br)o1.
What is the InChIKey of 5-[(2-bromophenoxy)methyl]-N-(3-ethoxypropyl)furan-2-carboxamide?
The InChIKey is IULDSNVDTUHUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO4/c1-2-21-11-5-10-19-17(20)16-9-8-13(23-16)12-22-15-7-4-3-6-14(15)18/h3-4,6-9H,2,5,10-12H2,1H3,(H,19,20).
What are the key properties of 5-[(2-bromophenoxy)methyl]-N-(3-ethoxypropyl)furan-2-carboxamide?
5-[(2-bromophenoxy)methyl]-N-(3-ethoxypropyl)furan-2-carboxamide has a molecular weight of 382.25 g/mol, XLogP of 3.78, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromophenoxy)methyl]-N-(3-ethoxypropyl)furan-2-carboxamide is sourced from PubChem (CID 19450396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).