[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2,4-difluorophenyl)methanone

C18H14F4N2O2 — CID 48868982

IUPAC[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2,4-difluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1F)N1CCN(C(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C18H14F4N2O2/c19-11-2-4-15(21)14(9-11)18(26)24-7-5-23(6-8-24)17(25)13-3-1-12(20)10-16(13)22/h1-4,9-10H,5-8H2
InChIKeyWBTLMXDFSFUZIR-UHFFFAOYSA-N
MW366.31 g/mol
LogP2.84
Rot. Bonds2

About [4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2,4-difluorophenyl)methanone

[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2,4-difluorophenyl)methanone (PubChem CID 48868982) has the molecular formula C18H14F4N2O2 and a molecular weight of 366.31 g/mol. Its IUPAC name is [4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2,4-difluorophenyl)methanone.

Molecular Properties

Compound Name[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2,4-difluorophenyl)methanone
PubChem CID48868982
Molecular FormulaC18H14F4N2O2
Molecular Weight366.31 g/mol
Exact Mass366.10
IUPAC Name[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2,4-difluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1F)N1CCN(C(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C18H14F4N2O2/c19-11-2-4-15(21)14(9-11)18(26)24-7-5-23(6-8-24)17(25)13-3-1-12(20)10-16(13)22/h1-4,9-10H,5-8H2
InChIKeyWBTLMXDFSFUZIR-UHFFFAOYSA-N
XLogP2.84
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.31
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 33466238
(2,5-difluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 110804484
[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 48868968
(2,4-difluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 588075
cyclopentyl-[4-(2,4-difluorobenzoyl)piperazin-1-yl]methanone
CID 110801627
[4-(azetidin-3-yl)piperazin-1-yl]-(2,5-difluorophenyl)methanone
CID 66204072
(2,5-difluorophenyl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 78802706
(2,4-difluorophenyl)-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110815315
[4-[4-(2,5-difluorobenzoyl)piperazine-1-carbonyl]phenyl]-phenylmethanone
CID 166198252
(5-chlorothiophen-2-yl)-[4-(2,5-difluorobenzoyl)piperazin-1-yl]methanone
CID 110815113
[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]-(2,4-difluorophenyl)methanone
CID 110815115
1-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 110804269

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2,4-difluorophenyl)methanone?
The IUPAC name of [4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2,4-difluorophenyl)methanone (CID 48868982) is [4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2,4-difluorophenyl)methanone.
What is the SMILES notation for [4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2,4-difluorophenyl)methanone?
The canonical SMILES for [4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2,4-difluorophenyl)methanone is O=C(c1ccc(F)cc1F)N1CCN(C(=O)c2cc(F)ccc2F)CC1.
What is the InChIKey of [4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2,4-difluorophenyl)methanone?
The InChIKey is WBTLMXDFSFUZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F4N2O2/c19-11-2-4-15(21)14(9-11)18(26)24-7-5-23(6-8-24)17(25)13-3-1-12(20)10-16(13)22/h1-4,9-10H,5-8H2.
What are the key properties of [4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2,4-difluorophenyl)methanone?
[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2,4-difluorophenyl)methanone has a molecular weight of 366.31 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2,4-difluorophenyl)methanone is sourced from PubChem (CID 48868982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).