[5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methanone

C23H20Cl4N2O3 — CID 19295297

IUPAC[5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(COc2cccc(Cl)c2Cl)o1)N1CCN(Cc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C23H20Cl4N2O3/c24-16-5-4-15(19(26)12-16)13-28-8-10-29(11-9-28)23(30)21-7-6-17(32-21)14-31-20-3-1-2-18(25)22(20)27/h1-7,12H,8-11,13-14H2
InChIKeyXLBAGEZLZAOBOB-UHFFFAOYSA-N
MW514.24 g/mol
LogP6.43
Rot. Bonds6

About [5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methanone

[5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methanone (PubChem CID 19295297) has the molecular formula C23H20Cl4N2O3 and a molecular weight of 514.24 g/mol. Its IUPAC name is [5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methanone
PubChem CID19295297
Molecular FormulaC23H20Cl4N2O3
Molecular Weight514.24 g/mol
Exact Mass512.02
IUPAC Name[5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(COc2cccc(Cl)c2Cl)o1)N1CCN(Cc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C23H20Cl4N2O3/c24-16-5-4-15(19(26)12-16)13-28-8-10-29(11-9-28)23(30)21-7-6-17(32-21)14-31-20-3-1-2-18(25)22(20)27/h1-7,12H,8-11,13-14H2
InChIKeyXLBAGEZLZAOBOB-UHFFFAOYSA-N
XLogP6.43
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.24
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-[5-[(2,3,4,5,6-pentachlorophenoxy)methyl]furan-2-yl]methanone
CID 19296949
[5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19325652
[5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 19329583
[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[5-[(2,4,6-trichlorophenoxy)methyl]furan-2-yl]methanone
CID 19290960
[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[5-[(2,6-dimethylphenoxy)methyl]furan-2-yl]methanone
CID 19290971
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-[5-[(3,5-dimethylphenoxy)methyl]furan-2-yl]methanone
CID 19294853
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[5-[(2-prop-2-enylphenoxy)methyl]furan-2-yl]methanone
CID 19323614
N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxamide
CID 19396828
[5-[(4-bromophenoxy)methyl]furan-2-yl]-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19294871
[5-[(3-chlorophenoxy)methyl]furan-2-yl]-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19297059
[5-[(2,4-dichlorophenoxy)methyl]furan-2-yl]-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 19331554
[4-[(2-chlorophenoxy)methyl]thiophen-2-yl]-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methanone
CID 19503143

Frequently Asked Questions

What is the IUPAC name of [5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of [5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methanone (CID 19295297) is [5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for [5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methanone is O=C(c1ccc(COc2cccc(Cl)c2Cl)o1)N1CCN(Cc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of [5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is XLBAGEZLZAOBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl4N2O3/c24-16-5-4-15(19(26)12-16)13-28-8-10-29(11-9-28)23(30)21-7-6-17(32-21)14-31-20-3-1-2-18(25)22(20)27/h1-7,12H,8-11,13-14H2.
What are the key properties of [5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methanone?
[5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 514.24 g/mol, XLogP of 6.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 19295297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).