2-(4-bromophenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-2-methylpropanamide

C22H22BrNO5 — CID 28677251

IUPAC2-(4-bromophenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-2-methylpropanamide
SMILESCOc1ccc(NC(=O)C(C)(C)Oc2ccc(Br)cc2)cc1-c1ccc(CO)o1
InChIInChI=1S/C22H22BrNO5/c1-22(2,29-16-7-4-14(23)5-8-16)21(26)24-15-6-10-19(27-3)18(12-15)20-11-9-17(13-25)28-20/h4-12,25H,13H2,1-3H3,(H,24,26)
InChIKeyFLMXWMWMVNKCME-UHFFFAOYSA-N
MW460.32 g/mol
LogP5.01
Rot. Bonds7

About 2-(4-bromophenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-2-methylpropanamide

2-(4-bromophenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-2-methylpropanamide (PubChem CID 28677251) has the molecular formula C22H22BrNO5 and a molecular weight of 460.32 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-2-methylpropanamide
PubChem CID28677251
Molecular FormulaC22H22BrNO5
Molecular Weight460.32 g/mol
Exact Mass459.07
IUPAC Name2-(4-bromophenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-2-methylpropanamide
SMILESCOc1ccc(NC(=O)C(C)(C)Oc2ccc(Br)cc2)cc1-c1ccc(CO)o1
InChIInChI=1S/C22H22BrNO5/c1-22(2,29-16-7-4-14(23)5-8-16)21(26)24-15-6-10-19(27-3)18(12-15)20-11-9-17(13-25)28-20/h4-12,25H,13H2,1-3H3,(H,24,26)
InChIKeyFLMXWMWMVNKCME-UHFFFAOYSA-N
XLogP5.01
TPSA80.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.32
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-bromophenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-2-methylpropanamide 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

2-(4-bromophenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]acetamide
CID 28676197
4-bromo-N-[[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]carbamothioyl]benzamide
CID 28687236
N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]-2,2-dimethylpropanamide
CID 28666099
3-bromo-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]benzamide
CID 28667412
(E)-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 28677867
N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-4-(2-methylpropoxy)benzamide
CID 28673042
N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-3-methoxybenzamide
CID 28672057
3-bromo-N-[[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]carbamothioyl]benzamide
CID 28687116
N-[[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]carbamothioyl]benzamide
CID 28686845
3-ethoxy-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]benzamide
CID 28672132
N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]-3,5-dimethoxybenzamide
CID 28675012
N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]-2-(4-methoxyphenoxy)acetamide
CID 28676973

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-2-methylpropanamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-2-methylpropanamide (CID 28677251) is 2-(4-bromophenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-2-methylpropanamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-2-methylpropanamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-2-methylpropanamide is COc1ccc(NC(=O)C(C)(C)Oc2ccc(Br)cc2)cc1-c1ccc(CO)o1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-2-methylpropanamide?
The InChIKey is FLMXWMWMVNKCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22BrNO5/c1-22(2,29-16-7-4-14(23)5-8-16)21(26)24-15-6-10-19(27-3)18(12-15)20-11-9-17(13-25)28-20/h4-12,25H,13H2,1-3H3,(H,24,26).
What are the key properties of 2-(4-bromophenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-2-methylpropanamide?
2-(4-bromophenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-2-methylpropanamide has a molecular weight of 460.32 g/mol, XLogP of 5.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-2-methylpropanamide is sourced from PubChem (CID 28677251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).