2-(2-chloro-4,6-dimethylphenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide

C21H20ClNO4 — CID 28676510

IUPAC2-(2-chloro-4,6-dimethylphenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide
SMILESCc1cc(C)c(OCC(=O)Nc2cccc(-c3ccc(CO)o3)c2)c(Cl)c1
InChIInChI=1S/C21H20ClNO4/c1-13-8-14(2)21(18(22)9-13)26-12-20(25)23-16-5-3-4-15(10-16)19-7-6-17(11-24)27-19/h3-10,24H,11-12H2,1-2H3,(H,23,25)
InChIKeyWBIQHWDNVJPODM-UHFFFAOYSA-N
MW385.85 g/mol
LogP4.73
Rot. Bonds6

About 2-(2-chloro-4,6-dimethylphenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide

2-(2-chloro-4,6-dimethylphenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide (PubChem CID 28676510) has the molecular formula C21H20ClNO4 and a molecular weight of 385.85 g/mol. Its IUPAC name is 2-(2-chloro-4,6-dimethylphenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-4,6-dimethylphenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide
PubChem CID28676510
Molecular FormulaC21H20ClNO4
Molecular Weight385.85 g/mol
Exact Mass385.11
IUPAC Name2-(2-chloro-4,6-dimethylphenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide
SMILESCc1cc(C)c(OCC(=O)Nc2cccc(-c3ccc(CO)o3)c2)c(Cl)c1
InChIInChI=1S/C21H20ClNO4/c1-13-8-14(2)21(18(22)9-13)26-12-20(25)23-16-5-3-4-15(10-16)19-7-6-17(11-24)27-19/h3-10,24H,11-12H2,1-2H3,(H,23,25)
InChIKeyWBIQHWDNVJPODM-UHFFFAOYSA-N
XLogP4.73
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dimethylphenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide
CID 28675967
2-(2-bromo-4,6-dimethylphenoxy)-N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide
CID 28676626
2-chloro-N-[3-[[2-(2-chloro-4,6-dimethylphenoxy)acetyl]amino]phenyl]benzamide
CID 3877756
N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 43866259
2-(2-amino-4,6-dimethylphenoxy)-N-(3-chlorophenyl)acetamide
CID 62056523
2-(2,4-dichloro-6-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 1121099
2-(2-chlorophenoxy)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]acetamide
CID 28676829
N-(3-acetylphenyl)-2-(4-bromo-2-chloro-6-methylphenoxy)acetamide
CID 2610777
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 7233561
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 7290642
2-(4-chloro-3,5-dimethylphenoxy)-N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide
CID 28676428
3,4,5-triethoxy-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]benzamide
CID 28675140

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4,6-dimethylphenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide?
The IUPAC name of 2-(2-chloro-4,6-dimethylphenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide (CID 28676510) is 2-(2-chloro-4,6-dimethylphenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide.
What is the SMILES notation for 2-(2-chloro-4,6-dimethylphenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide?
The canonical SMILES for 2-(2-chloro-4,6-dimethylphenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide is Cc1cc(C)c(OCC(=O)Nc2cccc(-c3ccc(CO)o3)c2)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4,6-dimethylphenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide?
The InChIKey is WBIQHWDNVJPODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO4/c1-13-8-14(2)21(18(22)9-13)26-12-20(25)23-16-5-3-4-15(10-16)19-7-6-17(11-24)27-19/h3-10,24H,11-12H2,1-2H3,(H,23,25).
What are the key properties of 2-(2-chloro-4,6-dimethylphenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide?
2-(2-chloro-4,6-dimethylphenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide has a molecular weight of 385.85 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4,6-dimethylphenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide is sourced from PubChem (CID 28676510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).