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

C20H18BrNO5 — CID 28676197

IUPAC2-(4-bromophenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(=O)COc2ccc(Br)cc2)cc1-c1ccc(CO)o1
InChIInChI=1S/C20H18BrNO5/c1-25-18-8-4-14(10-17(18)19-9-7-16(11-23)27-19)22-20(24)12-26-15-5-2-13(21)3-6-15/h2-10,23H,11-12H2,1H3,(H,22,24)
InChIKeyWIEYFOBMJNCLQD-UHFFFAOYSA-N
MW432.27 g/mol
LogP4.23
Rot. Bonds7

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

2-(4-bromophenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]acetamide (PubChem CID 28676197) has the molecular formula C20H18BrNO5 and a molecular weight of 432.27 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]acetamide
PubChem CID28676197
Molecular FormulaC20H18BrNO5
Molecular Weight432.27 g/mol
Exact Mass431.04
IUPAC Name2-(4-bromophenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(=O)COc2ccc(Br)cc2)cc1-c1ccc(CO)o1
InChIInChI=1S/C20H18BrNO5/c1-25-18-8-4-14(10-17(18)19-9-7-16(11-23)27-19)22-20(24)12-26-15-5-2-13(21)3-6-15/h2-10,23H,11-12H2,1H3,(H,22,24)
InChIKeyWIEYFOBMJNCLQD-UHFFFAOYSA-N
XLogP4.23
TPSA80.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.27
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]-2-(4-methoxyphenoxy)acetamide
CID 28676973
2-(4-bromophenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-2-methylpropanamide
CID 28677251
N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]-2-(4-nitrophenoxy)acetamide
CID 28677391
4-bromo-N-[[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]carbamothioyl]benzamide
CID 28687236
2-(4-bromophenoxy)-N-(3,4-dimethoxyphenyl)acetamide
CID 2303718
3-bromo-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]benzamide
CID 28667412
2-(4-cyclohexylphenoxy)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]acetamide
CID 28677475
N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-4-(2-methylpropoxy)benzamide
CID 28673042
N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-2-(4-ethylphenoxy)acetamide
CID 28675834
(E)-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 28677867
2-(4-ethylphenoxy)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]acetamide
CID 28675840
N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-3-methoxybenzamide
CID 28672057

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]acetamide (CID 28676197) is 2-(4-bromophenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]acetamide is COc1ccc(NC(=O)COc2ccc(Br)cc2)cc1-c1ccc(CO)o1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]acetamide?
The InChIKey is WIEYFOBMJNCLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrNO5/c1-25-18-8-4-14(10-17(18)19-9-7-16(11-23)27-19)22-20(24)12-26-15-5-2-13(21)3-6-15/h2-10,23H,11-12H2,1H3,(H,22,24).
What are the key properties of 2-(4-bromophenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]acetamide?
2-(4-bromophenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]acetamide has a molecular weight of 432.27 g/mol, XLogP of 4.23, 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]acetamide is sourced from PubChem (CID 28676197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).