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

C21H19Cl2NO3 — CID 54859110

IUPAC2-(4-chloro-3,5-dimethylphenoxy)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide
SMILESCc1cc(OCC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)cc(C)c1Cl
InChIInChI=1S/C21H19Cl2NO3/c1-13-9-18(10-14(2)21(13)23)26-12-20(25)24-11-17-7-8-19(27-17)15-3-5-16(22)6-4-15/h3-10H,11-12H2,1-2H3,(H,24,25)
InChIKeyQIWVBQFJKMUYBW-UHFFFAOYSA-N
MW404.29 g/mol
LogP5.57
Rot. Bonds6

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

2-(4-chloro-3,5-dimethylphenoxy)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide (PubChem CID 54859110) has the molecular formula C21H19Cl2NO3 and a molecular weight of 404.29 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylphenoxy)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylphenoxy)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide
PubChem CID54859110
Molecular FormulaC21H19Cl2NO3
Molecular Weight404.29 g/mol
Exact Mass403.07
IUPAC Name2-(4-chloro-3,5-dimethylphenoxy)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide
SMILESCc1cc(OCC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)cc(C)c1Cl
InChIInChI=1S/C21H19Cl2NO3/c1-13-9-18(10-14(2)21(13)23)26-12-20(25)24-11-17-7-8-19(27-17)15-3-5-16(22)6-4-15/h3-10H,11-12H2,1-2H3,(H,24,25)
InChIKeyQIWVBQFJKMUYBW-UHFFFAOYSA-N
XLogP5.57
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.29
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-chloro-3,5-dimethylphenoxy)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]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

N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-chloro-2-methylphenoxy)acetamide
CID 17335241
2-(2-acetamidophenoxy)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide
CID 29346676
2-(2-acetyl-4-fluorophenoxy)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide
CID 112771182
2-(4-chloro-2-methylphenoxy)-N-[[5-(4-chlorophenyl)furan-2-yl]methylcarbamothioyl]acetamide
CID 54860411
2-(4-chloro-3,5-dimethylphenoxy)-N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide
CID 28676428
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(2,4-dimethylphenoxy)acetamide
CID 9204148
N-[[5-(4-chlorophenyl)furan-2-yl]methylcarbamothioyl]-2-(4-ethylphenoxy)acetamide
CID 54860378
[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 39803402
ethyl 2-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]sulfanylacetate
CID 43025865
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(2-methoxyphenyl)propanamide
CID 18284866
[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl] furan-3-carboxylate
CID 26985367
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 24677331

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide (CID 54859110) is 2-(4-chloro-3,5-dimethylphenoxy)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylphenoxy)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylphenoxy)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide is Cc1cc(OCC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)cc(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylphenoxy)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide?
The InChIKey is QIWVBQFJKMUYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2NO3/c1-13-9-18(10-14(2)21(13)23)26-12-20(25)24-11-17-7-8-19(27-17)15-3-5-16(22)6-4-15/h3-10H,11-12H2,1-2H3,(H,24,25).
What are the key properties of 2-(4-chloro-3,5-dimethylphenoxy)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide?
2-(4-chloro-3,5-dimethylphenoxy)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide has a molecular weight of 404.29 g/mol, XLogP of 5.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylphenoxy)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide is sourced from PubChem (CID 54859110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).