[3-fluoro-4-[4-(4-fluorobenzoyl)piperazin-1-yl]phenyl]-phenylmethanone

C24H20F2N2O2 — CID 1152760

IUPAC[3-fluoro-4-[4-(4-fluorobenzoyl)piperazin-1-yl]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)c(F)c1
InChIInChI=1S/C24H20F2N2O2/c25-20-9-6-18(7-10-20)24(30)28-14-12-27(13-15-28)22-11-8-19(16-21(22)26)23(29)17-4-2-1-3-5-17/h1-11,16H,12-15H2
InChIKeyPRHBFJCVFXOVGS-UHFFFAOYSA-N
MW406.43 g/mol
LogP4.16
Rot. Bonds4

About [3-fluoro-4-[4-(4-fluorobenzoyl)piperazin-1-yl]phenyl]-phenylmethanone

[3-fluoro-4-[4-(4-fluorobenzoyl)piperazin-1-yl]phenyl]-phenylmethanone (PubChem CID 1152760) has the molecular formula C24H20F2N2O2 and a molecular weight of 406.43 g/mol. Its IUPAC name is [3-fluoro-4-[4-(4-fluorobenzoyl)piperazin-1-yl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[3-fluoro-4-[4-(4-fluorobenzoyl)piperazin-1-yl]phenyl]-phenylmethanone
PubChem CID1152760
Molecular FormulaC24H20F2N2O2
Molecular Weight406.43 g/mol
Exact Mass406.15
IUPAC Name[3-fluoro-4-[4-(4-fluorobenzoyl)piperazin-1-yl]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)c(F)c1
InChIInChI=1S/C24H20F2N2O2/c25-20-9-6-18(7-10-20)24(30)28-14-12-27(13-15-28)22-11-8-19(16-21(22)26)23(29)17-4-2-1-3-5-17/h1-11,16H,12-15H2
InChIKeyPRHBFJCVFXOVGS-UHFFFAOYSA-N
XLogP4.16
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.43
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[4-(2,5-difluorobenzoyl)piperazine-1-carbonyl]phenyl]-phenylmethanone
CID 166198252
3-fluoro-4-[4-(4-fluorobenzoyl)piperazin-1-yl]benzonitrile
CID 822324
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzoic acid
CID 82183776
[3-fluoro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-phenylmethanone
CID 5070114
[4-(2-fluoro-4-nitrophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 2868624
2-[4-(4-fluorobenzoyl)piperazin-1-yl]benzonitrile
CID 113080805
bis[4-(4-phenylpiperazine-1-carbonyl)phenyl]methanone
CID 86192907
1-[3-fluoro-4-[4-(3-methylbenzoyl)piperazin-1-yl]phenyl]ethanone
CID 18098126
[4-(2-tert-butylphenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 66792715
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzenecarbothioamide
CID 55821119
3-fluoro-4-(4-phenylpiperazin-1-yl)benzoic acid
CID 43826185
1-[5-fluoro-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-methylphenyl]ethanone
CID 1037110

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-[4-(4-fluorobenzoyl)piperazin-1-yl]phenyl]-phenylmethanone?
The IUPAC name of [3-fluoro-4-[4-(4-fluorobenzoyl)piperazin-1-yl]phenyl]-phenylmethanone (CID 1152760) is [3-fluoro-4-[4-(4-fluorobenzoyl)piperazin-1-yl]phenyl]-phenylmethanone.
What is the SMILES notation for [3-fluoro-4-[4-(4-fluorobenzoyl)piperazin-1-yl]phenyl]-phenylmethanone?
The canonical SMILES for [3-fluoro-4-[4-(4-fluorobenzoyl)piperazin-1-yl]phenyl]-phenylmethanone is O=C(c1ccccc1)c1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)c(F)c1.
What is the InChIKey of [3-fluoro-4-[4-(4-fluorobenzoyl)piperazin-1-yl]phenyl]-phenylmethanone?
The InChIKey is PRHBFJCVFXOVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N2O2/c25-20-9-6-18(7-10-20)24(30)28-14-12-27(13-15-28)22-11-8-19(16-21(22)26)23(29)17-4-2-1-3-5-17/h1-11,16H,12-15H2.
What are the key properties of [3-fluoro-4-[4-(4-fluorobenzoyl)piperazin-1-yl]phenyl]-phenylmethanone?
[3-fluoro-4-[4-(4-fluorobenzoyl)piperazin-1-yl]phenyl]-phenylmethanone has a molecular weight of 406.43 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-[4-(4-fluorobenzoyl)piperazin-1-yl]phenyl]-phenylmethanone is sourced from PubChem (CID 1152760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).