3-fluoro-N-[4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl]benzamide

C23H21F2N3O — CID 112984547

IUPAC3-fluoro-N-[4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(N2CCN(c3ccccc3F)CC2)cc1)c1cccc(F)c1
InChIInChI=1S/C23H21F2N3O/c24-18-5-3-4-17(16-18)23(29)26-19-8-10-20(11-9-19)27-12-14-28(15-13-27)22-7-2-1-6-21(22)25/h1-11,16H,12-15H2,(H,26,29)
InChIKeyQZCWNDDAZGKNLB-UHFFFAOYSA-N
MW393.44 g/mol
LogP4.54
Rot. Bonds4

About 3-fluoro-N-[4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl]benzamide

3-fluoro-N-[4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl]benzamide (PubChem CID 112984547) has the molecular formula C23H21F2N3O and a molecular weight of 393.44 g/mol. Its IUPAC name is 3-fluoro-N-[4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl]benzamide
PubChem CID112984547
Molecular FormulaC23H21F2N3O
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name3-fluoro-N-[4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(N2CCN(c3ccccc3F)CC2)cc1)c1cccc(F)c1
InChIInChI=1S/C23H21F2N3O/c24-18-5-3-4-17(16-18)23(29)26-19-8-10-20(11-9-19)27-12-14-28(15-13-27)22-7-2-1-6-21(22)25/h1-11,16H,12-15H2,(H,26,29)
InChIKeyQZCWNDDAZGKNLB-UHFFFAOYSA-N
XLogP4.54
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 952383
3-fluoro-N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 113014415
3-fluoro-N-[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]benzamide
CID 112984624
3-fluoro-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide
CID 6957194
3-fluoro-N-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]benzamide
CID 167766156
N-[4-(2,3-dihydroindol-1-yl)phenyl]-3-fluorobenzamide
CID 112986182
N-(3-fluorophenyl)-5-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide
CID 109194372
3-fluoro-N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]benzamide
CID 649966
4-fluoro-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
CID 112983940
N-(2,4-dimorpholin-4-ylphenyl)-3-fluorobenzamide
CID 4824008
3-fluoro-N-[4-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]phenyl]benzamide
CID 1057923
[4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl]thiourea
CID 169360064

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl]benzamide?
The IUPAC name of 3-fluoro-N-[4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl]benzamide (CID 112984547) is 3-fluoro-N-[4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl]benzamide?
The canonical SMILES for 3-fluoro-N-[4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl]benzamide is O=C(Nc1ccc(N2CCN(c3ccccc3F)CC2)cc1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl]benzamide?
The InChIKey is QZCWNDDAZGKNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N3O/c24-18-5-3-4-17(16-18)23(29)26-19-8-10-20(11-9-19)27-12-14-28(15-13-27)22-7-2-1-6-21(22)25/h1-11,16H,12-15H2,(H,26,29).
What are the key properties of 3-fluoro-N-[4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl]benzamide?
3-fluoro-N-[4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl]benzamide has a molecular weight of 393.44 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl]benzamide is sourced from PubChem (CID 112984547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).