2-(2,4-dichlorophenoxy)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]acetamide

C20H17Cl2NO5 — CID 28676244

IUPAC2-(2,4-dichlorophenoxy)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]acetamide
SMILESCOc1ccc(-c2ccc(CO)o2)cc1NC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H17Cl2NO5/c1-26-19-5-2-12(17-7-4-14(10-24)28-17)8-16(19)23-20(25)11-27-18-6-3-13(21)9-15(18)22/h2-9,24H,10-11H2,1H3,(H,23,25)
InChIKeyHGFBCOCOLHNRLQ-UHFFFAOYSA-N
MW422.26 g/mol
LogP4.77
Rot. Bonds7

About 2-(2,4-dichlorophenoxy)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]acetamide

2-(2,4-dichlorophenoxy)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]acetamide (PubChem CID 28676244) has the molecular formula C20H17Cl2NO5 and a molecular weight of 422.26 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]acetamide
PubChem CID28676244
Molecular FormulaC20H17Cl2NO5
Molecular Weight422.26 g/mol
Exact Mass421.05
IUPAC Name2-(2,4-dichlorophenoxy)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]acetamide
SMILESCOc1ccc(-c2ccc(CO)o2)cc1NC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H17Cl2NO5/c1-26-19-5-2-12(17-7-4-14(10-24)28-17)8-16(19)23-20(25)11-27-18-6-3-13(21)9-15(18)22/h2-9,24H,10-11H2,1H3,(H,23,25)
InChIKeyHGFBCOCOLHNRLQ-UHFFFAOYSA-N
XLogP4.77
TPSA80.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.26
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethylphenoxy)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]acetamide
CID 28675745
2-(2-chlorophenoxy)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]acetamide
CID 28676829
5-(3-chlorophenyl)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]furan-2-carboxamide
CID 28670300
2-(4-chloro-3,5-dimethylphenoxy)-N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide
CID 28676428
N-[[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]carbamothioyl]-2-(2-methylphenoxy)acetamide
CID 28688628
N-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenoxy)acetamide
CID 870474
N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-3,4,5-trimethoxybenzamide
CID 28674937
N-(5-chloro-2-methoxyphenyl)-3-[5-(4-methylphenyl)furan-2-yl]propanamide
CID 22587388
N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-4-methylbenzamide
CID 28666764
2-(2,4-dichlorophenoxy)-N-[4-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide
CID 2827268
2-(2,4-dichlorophenoxy)-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 2788847
4-bromo-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]benzamide
CID 28667739

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]acetamide (CID 28676244) is 2-(2,4-dichlorophenoxy)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]acetamide is COc1ccc(-c2ccc(CO)o2)cc1NC(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]acetamide?
The InChIKey is HGFBCOCOLHNRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2NO5/c1-26-19-5-2-12(17-7-4-14(10-24)28-17)8-16(19)23-20(25)11-27-18-6-3-13(21)9-15(18)22/h2-9,24H,10-11H2,1H3,(H,23,25).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]acetamide?
2-(2,4-dichlorophenoxy)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]acetamide has a molecular weight of 422.26 g/mol, XLogP of 4.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]acetamide is sourced from PubChem (CID 28676244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).