[5-[(4-bromophenoxy)methyl]furan-2-yl]-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone

C23H22BrClN2O3 — CID 19325456

IUPAC[5-[(4-bromophenoxy)methyl]furan-2-yl]-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(COc2ccc(Br)cc2)o1)N1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H22BrClN2O3/c24-18-3-7-20(8-4-18)29-16-21-9-10-22(30-21)23(28)27-13-11-26(12-14-27)15-17-1-5-19(25)6-2-17/h1-10H,11-16H2
InChIKeyXKHFMOGGSTWWMD-UHFFFAOYSA-N
MW489.80 g/mol
LogP5.23
Rot. Bonds6

About [5-[(4-bromophenoxy)methyl]furan-2-yl]-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone

[5-[(4-bromophenoxy)methyl]furan-2-yl]-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone (PubChem CID 19325456) has the molecular formula C23H22BrClN2O3 and a molecular weight of 489.80 g/mol. Its IUPAC name is [5-[(4-bromophenoxy)methyl]furan-2-yl]-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-[(4-bromophenoxy)methyl]furan-2-yl]-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
PubChem CID19325456
Molecular FormulaC23H22BrClN2O3
Molecular Weight489.80 g/mol
Exact Mass488.05
IUPAC Name[5-[(4-bromophenoxy)methyl]furan-2-yl]-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(COc2ccc(Br)cc2)o1)N1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H22BrClN2O3/c24-18-3-7-20(8-4-18)29-16-21-9-10-22(30-21)23(28)27-13-11-26(12-14-27)15-17-1-5-19(25)6-2-17/h1-10H,11-16H2
InChIKeyXKHFMOGGSTWWMD-UHFFFAOYSA-N
XLogP5.23
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.80
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [5-[(4-bromophenoxy)methyl]furan-2-yl]-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

1-[4-[[5-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]furan-2-yl]methoxy]phenyl]ethanone
CID 19325489
[5-[(4-bromophenoxy)methyl]furan-2-yl]-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19294871
[5-[(4-bromophenoxy)methyl]furan-2-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 19572656
[5-[(4-bromophenoxy)methyl]furan-2-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19325645
(4-benzylpiperazin-1-yl)-[5-[(3-bromophenoxy)methyl]furan-2-yl]methanone
CID 46488837
(5-chlorofuran-2-yl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 29421852
(4-aminopiperidin-1-yl)-[5-[(4-bromophenoxy)methyl]furan-2-yl]methanone
CID 119375154
1-[4-[[5-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]furan-2-yl]methoxy]phenyl]ethanone
CID 19323623
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone
CID 78829498
[5-[(3-chlorophenoxy)methyl]furan-2-yl]-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19297059
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-[5-[(4-nitrophenoxy)methyl]furan-2-yl]methanone
CID 19297096
[5-[(4-bromophenoxy)methyl]furan-2-yl]-(1,4-diazepan-1-yl)methanone
CID 119416732

Frequently Asked Questions

What is the IUPAC name of [5-[(4-bromophenoxy)methyl]furan-2-yl]-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of [5-[(4-bromophenoxy)methyl]furan-2-yl]-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone (CID 19325456) is [5-[(4-bromophenoxy)methyl]furan-2-yl]-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [5-[(4-bromophenoxy)methyl]furan-2-yl]-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for [5-[(4-bromophenoxy)methyl]furan-2-yl]-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone is O=C(c1ccc(COc2ccc(Br)cc2)o1)N1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of [5-[(4-bromophenoxy)methyl]furan-2-yl]-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is XKHFMOGGSTWWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrClN2O3/c24-18-3-7-20(8-4-18)29-16-21-9-10-22(30-21)23(28)27-13-11-26(12-14-27)15-17-1-5-19(25)6-2-17/h1-10H,11-16H2.
What are the key properties of [5-[(4-bromophenoxy)methyl]furan-2-yl]-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone?
[5-[(4-bromophenoxy)methyl]furan-2-yl]-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 489.80 g/mol, XLogP of 5.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-bromophenoxy)methyl]furan-2-yl]-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 19325456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).