2-(2-acetamidophenoxy)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide

C21H19ClN2O4 — CID 29346676

IUPAC2-(2-acetamidophenoxy)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide
SMILESCC(=O)Nc1ccccc1OCC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C21H19ClN2O4/c1-14(25)24-18-4-2-3-5-20(18)27-13-21(26)23-12-17-10-11-19(28-17)15-6-8-16(22)9-7-15/h2-11H,12-13H2,1H3,(H,23,26)(H,24,25)
InChIKeyFULSQLXPMBURHO-UHFFFAOYSA-N
MW398.85 g/mol
LogP4.25
Rot. Bonds7

About 2-(2-acetamidophenoxy)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide

2-(2-acetamidophenoxy)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide (PubChem CID 29346676) has the molecular formula C21H19ClN2O4 and a molecular weight of 398.85 g/mol. Its IUPAC name is 2-(2-acetamidophenoxy)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-acetamidophenoxy)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide
PubChem CID29346676
Molecular FormulaC21H19ClN2O4
Molecular Weight398.85 g/mol
Exact Mass398.10
IUPAC Name2-(2-acetamidophenoxy)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide
SMILESCC(=O)Nc1ccccc1OCC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C21H19ClN2O4/c1-14(25)24-18-4-2-3-5-20(18)27-13-21(26)23-12-17-10-11-19(28-17)15-6-8-16(22)9-7-15/h2-11H,12-13H2,1H3,(H,23,26)(H,24,25)
InChIKeyFULSQLXPMBURHO-UHFFFAOYSA-N
XLogP4.25
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-acetyl-4-fluorophenoxy)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide
CID 112771182
2-(4-chloro-3,5-dimethylphenoxy)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide
CID 54859110
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(2-methoxyphenyl)propanamide
CID 18284866
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 24677331
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-chloro-2-methylphenoxy)acetamide
CID 17335241
N-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]-2-phenylacetamide
CID 9120196
2-(4-chloro-2-methylphenoxy)-N-[[5-(4-chlorophenyl)furan-2-yl]methylcarbamothioyl]acetamide
CID 54860411
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide
CID 38212370
3-(benzenesulfonyl)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]propanamide
CID 9021360
2-(2-acetamidophenoxy)-N-(2,5-dichlorophenyl)acetamide
CID 7867306
[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl] 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 55366521
2-(2-acetamidophenoxy)-N-prop-2-ynylacetamide
CID 9017984

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamidophenoxy)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide?
The IUPAC name of 2-(2-acetamidophenoxy)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide (CID 29346676) is 2-(2-acetamidophenoxy)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(2-acetamidophenoxy)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide?
The canonical SMILES for 2-(2-acetamidophenoxy)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide is CC(=O)Nc1ccccc1OCC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 2-(2-acetamidophenoxy)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide?
The InChIKey is FULSQLXPMBURHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O4/c1-14(25)24-18-4-2-3-5-20(18)27-13-21(26)23-12-17-10-11-19(28-17)15-6-8-16(22)9-7-15/h2-11H,12-13H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 2-(2-acetamidophenoxy)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide?
2-(2-acetamidophenoxy)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide has a molecular weight of 398.85 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamidophenoxy)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide is sourced from PubChem (CID 29346676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).