N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide

C24H26ClN3O3 — CID 55917811

IUPACN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide
SMILESO=C(CNc1ccccc1N1CCC(O)CC1)NCc1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C24H26ClN3O3/c25-18-7-5-17(6-8-18)23-10-9-20(31-23)15-27-24(30)16-26-21-3-1-2-4-22(21)28-13-11-19(29)12-14-28/h1-10,19,26,29H,11-16H2,(H,27,30)
InChIKeyWTUBTTMIIFUDCF-UHFFFAOYSA-N
MW439.94 g/mol
LogP4.29
Rot. Bonds7

About N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide

N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide (PubChem CID 55917811) has the molecular formula C24H26ClN3O3 and a molecular weight of 439.94 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide
PubChem CID55917811
Molecular FormulaC24H26ClN3O3
Molecular Weight439.94 g/mol
Exact Mass439.17
IUPAC NameN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide
SMILESO=C(CNc1ccccc1N1CCC(O)CC1)NCc1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C24H26ClN3O3/c25-18-7-5-17(6-8-18)23-10-9-20(31-23)15-27-24(30)16-26-21-3-1-2-4-22(21)28-13-11-19(29)12-14-28/h1-10,19,26,29H,11-16H2,(H,27,30)
InChIKeyWTUBTTMIIFUDCF-UHFFFAOYSA-N
XLogP4.29
TPSA77.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.94
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide?
The IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide (CID 55917811) is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide.
What is the SMILES notation for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide?
The canonical SMILES for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide is O=C(CNc1ccccc1N1CCC(O)CC1)NCc1ccc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide?
The InChIKey is WTUBTTMIIFUDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O3/c25-18-7-5-17(6-8-18)23-10-9-20(31-23)15-27-24(30)16-26-21-3-1-2-4-22(21)28-13-11-19(29)12-14-28/h1-10,19,26,29H,11-16H2,(H,27,30).
What are the key properties of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide?
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide has a molecular weight of 439.94 g/mol, XLogP of 4.29, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide is sourced from PubChem (CID 55917811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).