[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone

C18H15Cl2FN2O2 — CID 46413225

IUPAC[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C18H15Cl2FN2O2/c19-14-9-13(10-15(20)11-14)18(25)23-7-5-22(6-8-23)17(24)12-1-3-16(21)4-2-12/h1-4,9-11H,5-8H2
InChIKeyPPFVLNYEYGWSSW-UHFFFAOYSA-N
MW381.23 g/mol
LogP3.73
Rot. Bonds2

About [4-(3,5-dichlorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone

[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone (PubChem CID 46413225) has the molecular formula C18H15Cl2FN2O2 and a molecular weight of 381.23 g/mol. Its IUPAC name is [4-(3,5-dichlorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
PubChem CID46413225
Molecular FormulaC18H15Cl2FN2O2
Molecular Weight381.23 g/mol
Exact Mass380.05
IUPAC Name[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C18H15Cl2FN2O2/c19-14-9-13(10-15(20)11-14)18(25)23-7-5-22(6-8-23)17(24)12-1-3-16(21)4-2-12/h1-4,9-11H,5-8H2
InChIKeyPPFVLNYEYGWSSW-UHFFFAOYSA-N
XLogP3.73
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.23
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 110495911
[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 36505256
1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-3-(4-fluorophenyl)propan-1-one
CID 55556424
[4-(4-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 873857
(6-chloro-3-pyridinyl)-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]methanone
CID 134062230
[4-(3,4-dichlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 17217210
4-(4-fluorobenzoyl)piperazine-1-carbaldehyde
CID 2876745
4-(4-fluorobenzoyl)-1,4-diazepane-1-carboxylic acid
CID 67493364
[4-(difluoromethoxy)phenyl]-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone
CID 38387477
(4-chlorophenyl)-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]methanone
CID 21275348
[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-(4-fluorophenyl)methanone
CID 19291067
4-(4-fluorobenzoyl)piperazine-1-sulfonamide
CID 60734135

Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dichlorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [4-(3,5-dichlorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone (CID 46413225) is [4-(3,5-dichlorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [4-(3,5-dichlorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [4-(3,5-dichlorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of [4-(3,5-dichlorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is PPFVLNYEYGWSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2FN2O2/c19-14-9-13(10-15(20)11-14)18(25)23-7-5-22(6-8-23)17(24)12-1-3-16(21)4-2-12/h1-4,9-11H,5-8H2.
What are the key properties of [4-(3,5-dichlorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone?
[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 381.23 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dichlorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 46413225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).