5-[(2-bromophenoxy)methyl]-N,N-bis(prop-2-enyl)furan-2-carboxamide

C18H18BrNO3 — CID 35525159

IUPAC5-[(2-bromophenoxy)methyl]-N,N-bis(prop-2-enyl)furan-2-carboxamide
SMILESC=CCN(CC=C)C(=O)c1ccc(COc2ccccc2Br)o1
InChIInChI=1S/C18H18BrNO3/c1-3-11-20(12-4-2)18(21)17-10-9-14(23-17)13-22-16-8-6-5-7-15(16)19/h3-10H,1-2,11-13H2
InChIKeyNCXJXUXFJMTKNI-UHFFFAOYSA-N
MW376.25 g/mol
LogP4.44
Rot. Bonds8

About 5-[(2-bromophenoxy)methyl]-N,N-bis(prop-2-enyl)furan-2-carboxamide

5-[(2-bromophenoxy)methyl]-N,N-bis(prop-2-enyl)furan-2-carboxamide (PubChem CID 35525159) has the molecular formula C18H18BrNO3 and a molecular weight of 376.25 g/mol. Its IUPAC name is 5-[(2-bromophenoxy)methyl]-N,N-bis(prop-2-enyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2-bromophenoxy)methyl]-N,N-bis(prop-2-enyl)furan-2-carboxamide
PubChem CID35525159
Molecular FormulaC18H18BrNO3
Molecular Weight376.25 g/mol
Exact Mass375.05
IUPAC Name5-[(2-bromophenoxy)methyl]-N,N-bis(prop-2-enyl)furan-2-carboxamide
SMILESC=CCN(CC=C)C(=O)c1ccc(COc2ccccc2Br)o1
InChIInChI=1S/C18H18BrNO3/c1-3-11-20(12-4-2)18(21)17-10-9-14(23-17)13-22-16-8-6-5-7-15(16)19/h3-10H,1-2,11-13H2
InChIKeyNCXJXUXFJMTKNI-UHFFFAOYSA-N
XLogP4.44
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.25
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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
5-[(2-bromophenoxy)methyl]-N-(2-methoxyphenyl)furan-2-carboxamide
CID 1012463
5-[(2-bromophenoxy)methyl]-N-(2,3-dimethylphenyl)furan-2-carboxamide
CID 19448612
5-[(2-bromophenoxy)methyl]-N-(3-ethoxypropyl)furan-2-carboxamide
CID 19450396
5-[(2-methylphenoxy)methyl]furan-2-carboxylate
CID 7015943
5-[(2-bromophenoxy)methyl]-N-(4-methylpiperazin-4-ium-1-yl)furan-2-carboxamide
CID 4748985
ethyl 2-amino-3-[5-[(2-bromophenoxy)methyl]furan-2-yl]propanoate
CID 170885411
5-[(2-bromophenoxy)methyl]-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide
CID 110279752
5-[(2-chlorophenoxy)methyl]furan-2-carbonyl chloride
CID 19619567
[(2S)-oxolan-2-yl]methyl 5-[(2-bromophenoxy)methyl]furan-2-carboxylate
CID 41068647
(E)-3-[5-[(2-bromophenoxy)methyl]furan-2-yl]-1-(4-methylphenyl)prop-2-en-1-one
CID 19565021

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromophenoxy)methyl]-N,N-bis(prop-2-enyl)furan-2-carboxamide?
The IUPAC name of 5-[(2-bromophenoxy)methyl]-N,N-bis(prop-2-enyl)furan-2-carboxamide (CID 35525159) is 5-[(2-bromophenoxy)methyl]-N,N-bis(prop-2-enyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(2-bromophenoxy)methyl]-N,N-bis(prop-2-enyl)furan-2-carboxamide?
The canonical SMILES for 5-[(2-bromophenoxy)methyl]-N,N-bis(prop-2-enyl)furan-2-carboxamide is C=CCN(CC=C)C(=O)c1ccc(COc2ccccc2Br)o1.
What is the InChIKey of 5-[(2-bromophenoxy)methyl]-N,N-bis(prop-2-enyl)furan-2-carboxamide?
The InChIKey is NCXJXUXFJMTKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO3/c1-3-11-20(12-4-2)18(21)17-10-9-14(23-17)13-22-16-8-6-5-7-15(16)19/h3-10H,1-2,11-13H2.
What are the key properties of 5-[(2-bromophenoxy)methyl]-N,N-bis(prop-2-enyl)furan-2-carboxamide?
5-[(2-bromophenoxy)methyl]-N,N-bis(prop-2-enyl)furan-2-carboxamide has a molecular weight of 376.25 g/mol, XLogP of 4.44, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromophenoxy)methyl]-N,N-bis(prop-2-enyl)furan-2-carboxamide is sourced from PubChem (CID 35525159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).