3-fluoro-N-[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]benzamide

C22H21FN4O — CID 112984624

IUPAC3-fluoro-N-[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(N2CCN(c3ccccn3)CC2)cc1)c1cccc(F)c1
InChIInChI=1S/C22H21FN4O/c23-18-5-3-4-17(16-18)22(28)25-19-7-9-20(10-8-19)26-12-14-27(15-13-26)21-6-1-2-11-24-21/h1-11,16H,12-15H2,(H,25,28)
InChIKeyNUWCOJVAFNSXLJ-UHFFFAOYSA-N
MW376.44 g/mol
LogP3.80
Rot. Bonds4

About 3-fluoro-N-[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]benzamide

3-fluoro-N-[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]benzamide (PubChem CID 112984624) has the molecular formula C22H21FN4O and a molecular weight of 376.44 g/mol. Its IUPAC name is 3-fluoro-N-[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]benzamide
PubChem CID112984624
Molecular FormulaC22H21FN4O
Molecular Weight376.44 g/mol
Exact Mass376.17
IUPAC Name3-fluoro-N-[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(N2CCN(c3ccccn3)CC2)cc1)c1cccc(F)c1
InChIInChI=1S/C22H21FN4O/c23-18-5-3-4-17(16-18)22(28)25-19-7-9-20(10-8-19)26-12-14-27(15-13-26)21-6-1-2-11-24-21/h1-11,16H,12-15H2,(H,25,28)
InChIKeyNUWCOJVAFNSXLJ-UHFFFAOYSA-N
XLogP3.80
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl]benzamide
CID 112984547
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
3-fluoro-N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 113014415
3-fluoro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90545167
4-fluoro-N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]benzamide
CID 113029575
N-(2,4-difluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
CID 109174623
3-fluoro-N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]benzamide
CID 649966
3-methyl-N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]benzamide
CID 113029571
3-fluoro-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide
CID 113021056
2-piperidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 109166232

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]benzamide?
The IUPAC name of 3-fluoro-N-[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]benzamide (CID 112984624) is 3-fluoro-N-[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]benzamide?
The canonical SMILES for 3-fluoro-N-[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]benzamide is O=C(Nc1ccc(N2CCN(c3ccccn3)CC2)cc1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]benzamide?
The InChIKey is NUWCOJVAFNSXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O/c23-18-5-3-4-17(16-18)22(28)25-19-7-9-20(10-8-19)26-12-14-27(15-13-26)21-6-1-2-11-24-21/h1-11,16H,12-15H2,(H,25,28).
What are the key properties of 3-fluoro-N-[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]benzamide?
3-fluoro-N-[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]benzamide has a molecular weight of 376.44 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]benzamide is sourced from PubChem (CID 112984624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).