[3-[(2,4-dichlorophenoxy)methyl]phenyl]-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone

C25H23Cl2FN2O2 — CID 19327369

IUPAC[3-[(2,4-dichlorophenoxy)methyl]phenyl]-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1cccc(COc2ccc(Cl)cc2Cl)c1)N1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C25H23Cl2FN2O2/c26-21-8-9-24(22(27)15-21)32-17-18-4-3-6-19(14-18)25(31)30-12-10-29(11-13-30)16-20-5-1-2-7-23(20)28/h1-9,14-15H,10-13,16-17H2
InChIKeyTTYPAMKSVLLKPF-UHFFFAOYSA-N
MW473.38 g/mol
LogP5.67
Rot. Bonds6

About [3-[(2,4-dichlorophenoxy)methyl]phenyl]-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone

[3-[(2,4-dichlorophenoxy)methyl]phenyl]-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone (PubChem CID 19327369) has the molecular formula C25H23Cl2FN2O2 and a molecular weight of 473.38 g/mol. Its IUPAC name is [3-[(2,4-dichlorophenoxy)methyl]phenyl]-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-[(2,4-dichlorophenoxy)methyl]phenyl]-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
PubChem CID19327369
Molecular FormulaC25H23Cl2FN2O2
Molecular Weight473.38 g/mol
Exact Mass472.11
IUPAC Name[3-[(2,4-dichlorophenoxy)methyl]phenyl]-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1cccc(COc2ccc(Cl)cc2Cl)c1)N1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C25H23Cl2FN2O2/c26-21-8-9-24(22(27)15-21)32-17-18-4-3-6-19(14-18)25(31)30-12-10-29(11-13-30)16-20-5-1-2-7-23(20)28/h1-9,14-15H,10-13,16-17H2
InChIKeyTTYPAMKSVLLKPF-UHFFFAOYSA-N
XLogP5.67
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.38
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [3-[(2,4-dichlorophenoxy)methyl]phenyl]-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[(2-chloro-5-methylphenoxy)methyl]phenyl]-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19327438
[3-[(2,4-dichlorophenoxy)methyl]phenyl]-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methanone
CID 19327571
[3-[(2,3-dichlorophenoxy)methyl]phenyl]-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]methanone
CID 19292987
(4-benzylpiperazin-1-yl)-[3-[(2-chlorophenoxy)methyl]phenyl]methanone
CID 19289215
[3-[(2,4-difluorophenoxy)methyl]phenyl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19327246
[4-[(2-bromophenyl)methyl]piperazin-1-yl]-[3-[(2,4-difluorophenoxy)methyl]phenyl]methanone
CID 19333544
[3-[(4-chloro-2-methylphenoxy)methyl]phenyl]-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19323630
[3-[(4-tert-butylphenoxy)methyl]phenyl]-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methanone
CID 19296973
(3,5-dichlorophenyl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 27756291
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-[3-[(4-ethoxyphenoxy)methyl]phenyl]methanone
CID 19294869
[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 44570985
[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]methanone
CID 19295261

Frequently Asked Questions

What is the IUPAC name of [3-[(2,4-dichlorophenoxy)methyl]phenyl]-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of [3-[(2,4-dichlorophenoxy)methyl]phenyl]-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone (CID 19327369) is [3-[(2,4-dichlorophenoxy)methyl]phenyl]-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [3-[(2,4-dichlorophenoxy)methyl]phenyl]-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for [3-[(2,4-dichlorophenoxy)methyl]phenyl]-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone is O=C(c1cccc(COc2ccc(Cl)cc2Cl)c1)N1CCN(Cc2ccccc2F)CC1.
What is the InChIKey of [3-[(2,4-dichlorophenoxy)methyl]phenyl]-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is TTYPAMKSVLLKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl2FN2O2/c26-21-8-9-24(22(27)15-21)32-17-18-4-3-6-19(14-18)25(31)30-12-10-29(11-13-30)16-20-5-1-2-7-23(20)28/h1-9,14-15H,10-13,16-17H2.
What are the key properties of [3-[(2,4-dichlorophenoxy)methyl]phenyl]-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone?
[3-[(2,4-dichlorophenoxy)methyl]phenyl]-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 473.38 g/mol, XLogP of 5.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2,4-dichlorophenoxy)methyl]phenyl]-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 19327369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).