2-(4-chloro-3,5-dimethylphenoxy)-N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide

C21H19Cl2NO4 — CID 28676428

IUPAC2-(4-chloro-3,5-dimethylphenoxy)-N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide
SMILESCc1cc(OCC(=O)Nc2cc(-c3ccc(CO)o3)ccc2Cl)cc(C)c1Cl
InChIInChI=1S/C21H19Cl2NO4/c1-12-7-16(8-13(2)21(12)23)27-11-20(26)24-18-9-14(3-5-17(18)22)19-6-4-15(10-25)28-19/h3-9,25H,10-11H2,1-2H3,(H,24,26)
InChIKeyPTHGNGIFXKUBPW-UHFFFAOYSA-N
MW420.29 g/mol
LogP5.38
Rot. Bonds6

About 2-(4-chloro-3,5-dimethylphenoxy)-N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide

2-(4-chloro-3,5-dimethylphenoxy)-N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide (PubChem CID 28676428) has the molecular formula C21H19Cl2NO4 and a molecular weight of 420.29 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylphenoxy)-N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylphenoxy)-N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide
PubChem CID28676428
Molecular FormulaC21H19Cl2NO4
Molecular Weight420.29 g/mol
Exact Mass419.07
IUPAC Name2-(4-chloro-3,5-dimethylphenoxy)-N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide
SMILESCc1cc(OCC(=O)Nc2cc(-c3ccc(CO)o3)ccc2Cl)cc(C)c1Cl
InChIInChI=1S/C21H19Cl2NO4/c1-12-7-16(8-13(2)21(12)23)27-11-20(26)24-18-9-14(3-5-17(18)22)19-6-4-15(10-25)28-19/h3-9,25H,10-11H2,1-2H3,(H,24,26)
InChIKeyPTHGNGIFXKUBPW-UHFFFAOYSA-N
XLogP5.38
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.29
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-chloro-3,5-dimethylphenoxy)-N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide with MolForge

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Related Compounds

2-(2-chlorophenoxy)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]acetamide
CID 28676829
2-(3,4-dimethylphenoxy)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]acetamide
CID 28675745
N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]butanamide
CID 28665680
N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-methylbutanamide
CID 28666016
2-(2,4-dichlorophenoxy)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]acetamide
CID 28676244
2-(4-chloro-3,5-dimethylphenoxy)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide
CID 54859110
N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-4-propoxybenzamide
CID 28672597
N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-ethoxybenzamide
CID 28672123
2-chloro-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-5-iodobenzamide
CID 28668065
N-[[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-3,5-dimethylbenzamide
CID 28687406
N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(3,4-dichlorophenyl)furan-2-carboxamide
CID 28669941
N-[[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-3,5-dimethoxybenzamide
CID 28688537

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide (CID 28676428) is 2-(4-chloro-3,5-dimethylphenoxy)-N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylphenoxy)-N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylphenoxy)-N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide is Cc1cc(OCC(=O)Nc2cc(-c3ccc(CO)o3)ccc2Cl)cc(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylphenoxy)-N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide?
The InChIKey is PTHGNGIFXKUBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2NO4/c1-12-7-16(8-13(2)21(12)23)27-11-20(26)24-18-9-14(3-5-17(18)22)19-6-4-15(10-25)28-19/h3-9,25H,10-11H2,1-2H3,(H,24,26).
What are the key properties of 2-(4-chloro-3,5-dimethylphenoxy)-N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide?
2-(4-chloro-3,5-dimethylphenoxy)-N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide has a molecular weight of 420.29 g/mol, XLogP of 5.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylphenoxy)-N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide is sourced from PubChem (CID 28676428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).