[5-[(2,5-dichlorophenoxy)methyl]furan-2-yl]-(4-methylpiperazin-1-yl)methanone

C17H18Cl2N2O3 — CID 1084337

IUPAC[5-[(2,5-dichlorophenoxy)methyl]furan-2-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(COc3cc(Cl)ccc3Cl)o2)CC1
InChIInChI=1S/C17H18Cl2N2O3/c1-20-6-8-21(9-7-20)17(22)15-5-3-13(24-15)11-23-16-10-12(18)2-4-14(16)19/h2-5,10H,6-9,11H2,1H3
InChIKeyRMZVLXQPQCGFDK-UHFFFAOYSA-N
MW369.25 g/mol
LogP3.55
Rot. Bonds4

About [5-[(2,5-dichlorophenoxy)methyl]furan-2-yl]-(4-methylpiperazin-1-yl)methanone

[5-[(2,5-dichlorophenoxy)methyl]furan-2-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 1084337) has the molecular formula C17H18Cl2N2O3 and a molecular weight of 369.25 g/mol. Its IUPAC name is [5-[(2,5-dichlorophenoxy)methyl]furan-2-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-[(2,5-dichlorophenoxy)methyl]furan-2-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID1084337
Molecular FormulaC17H18Cl2N2O3
Molecular Weight369.25 g/mol
Exact Mass368.07
IUPAC Name[5-[(2,5-dichlorophenoxy)methyl]furan-2-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(COc3cc(Cl)ccc3Cl)o2)CC1
InChIInChI=1S/C17H18Cl2N2O3/c1-20-6-8-21(9-7-20)17(22)15-5-3-13(24-15)11-23-16-10-12(18)2-4-14(16)19/h2-5,10H,6-9,11H2,1H3
InChIKeyRMZVLXQPQCGFDK-UHFFFAOYSA-N
XLogP3.55
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.25
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[(2,5-dichlorophenoxy)methyl]furan-2-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [5-[(2,5-dichlorophenoxy)methyl]furan-2-yl]-(4-methylpiperazin-1-yl)methanone (CID 1084337) is [5-[(2,5-dichlorophenoxy)methyl]furan-2-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-[(2,5-dichlorophenoxy)methyl]furan-2-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [5-[(2,5-dichlorophenoxy)methyl]furan-2-yl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2ccc(COc3cc(Cl)ccc3Cl)o2)CC1.
What is the InChIKey of [5-[(2,5-dichlorophenoxy)methyl]furan-2-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is RMZVLXQPQCGFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O3/c1-20-6-8-21(9-7-20)17(22)15-5-3-13(24-15)11-23-16-10-12(18)2-4-14(16)19/h2-5,10H,6-9,11H2,1H3.
What are the key properties of [5-[(2,5-dichlorophenoxy)methyl]furan-2-yl]-(4-methylpiperazin-1-yl)methanone?
[5-[(2,5-dichlorophenoxy)methyl]furan-2-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 369.25 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2,5-dichlorophenoxy)methyl]furan-2-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 1084337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).