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

C20H16Br2ClNO4 — CID 43866259

IUPACN-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide
SMILESCc1cc(Br)cc(Br)c1OCC(=O)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1
InChIInChI=1S/C20H16Br2ClNO4/c1-11-6-12(21)7-16(22)20(11)27-10-19(26)24-13-2-4-15(17(23)8-13)18-5-3-14(9-25)28-18/h2-8,25H,9-10H2,1H3,(H,24,26)
InChIKeyREZZHTXNKHQHSD-UHFFFAOYSA-N
MW529.61 g/mol
LogP5.94
Rot. Bonds6

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

N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide (PubChem CID 43866259) has the molecular formula C20H16Br2ClNO4 and a molecular weight of 529.61 g/mol. Its IUPAC name is N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide
PubChem CID43866259
Molecular FormulaC20H16Br2ClNO4
Molecular Weight529.61 g/mol
Exact Mass526.91
IUPAC NameN-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide
SMILESCc1cc(Br)cc(Br)c1OCC(=O)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1
InChIInChI=1S/C20H16Br2ClNO4/c1-11-6-12(21)7-16(22)20(11)27-10-19(26)24-13-2-4-15(17(23)8-13)18-5-3-14(9-25)28-18/h2-8,25H,9-10H2,1H3,(H,24,26)
InChIKeyREZZHTXNKHQHSD-UHFFFAOYSA-N
XLogP5.94
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.61
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide 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-(2-bromo-4,6-dimethylphenoxy)-N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide
CID 28676626
2-(2-chloro-4,6-dimethylphenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide
CID 28676510
4-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzoic acid
CID 28676661
N-[3-chloro-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 43914828
2-(4-ethylphenoxy)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]acetamide
CID 28675840
N-[3-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 17204542
5-bromo-N-[[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-2-methoxy-3-methylbenzamide
CID 28688461
2-(4-bromophenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]acetamide
CID 28676197
N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-2-(4-ethylphenoxy)acetamide
CID 28675834
2-chloro-N-cyclohexyl-5-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzamide
CID 17188450
4-chloro-N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]benzamide
CID 28667689
2-(2,4-dibromo-6-methylphenoxy)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide
CID 17097631

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide?
The IUPAC name of N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide (CID 43866259) is N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide.
What is the SMILES notation for N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide?
The canonical SMILES for N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide is Cc1cc(Br)cc(Br)c1OCC(=O)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide?
The InChIKey is REZZHTXNKHQHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Br2ClNO4/c1-11-6-12(21)7-16(22)20(11)27-10-19(26)24-13-2-4-15(17(23)8-13)18-5-3-14(9-25)28-18/h2-8,25H,9-10H2,1H3,(H,24,26).
What are the key properties of N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide?
N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide has a molecular weight of 529.61 g/mol, XLogP of 5.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide is sourced from PubChem (CID 43866259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).