3-fluoro-N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]benzamide

C22H20F2N4O — CID 113014415

IUPAC3-fluoro-N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(N2CCN(c3ccccc3F)CC2)nc1)c1cccc(F)c1
InChIInChI=1S/C22H20F2N4O/c23-17-5-3-4-16(14-17)22(29)26-18-8-9-21(25-15-18)28-12-10-27(11-13-28)20-7-2-1-6-19(20)24/h1-9,14-15H,10-13H2,(H,26,29)
InChIKeyJUMVMCZCGFLELF-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.94
Rot. Bonds4

About 3-fluoro-N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]benzamide

3-fluoro-N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]benzamide (PubChem CID 113014415) has the molecular formula C22H20F2N4O and a molecular weight of 394.43 g/mol. Its IUPAC name is 3-fluoro-N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]benzamide
PubChem CID113014415
Molecular FormulaC22H20F2N4O
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name3-fluoro-N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(N2CCN(c3ccccc3F)CC2)nc1)c1cccc(F)c1
InChIInChI=1S/C22H20F2N4O/c23-17-5-3-4-16(14-17)22(29)26-18-8-9-21(25-15-18)28-12-10-27(11-13-28)20-7-2-1-6-19(20)24/h1-9,14-15H,10-13H2,(H,26,29)
InChIKeyJUMVMCZCGFLELF-UHFFFAOYSA-N
XLogP3.94
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 113014414
3-fluoro-N-[4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl]benzamide
CID 112984547
N-[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-3-fluorobenzamide
CID 113015460
N-[6-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 46041909
3-fluoro-N-[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]benzamide
CID 112984624
ethyl N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]carbamate
CID 113014423
N-[6-[4-(3,5-difluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-3-methoxybenzamide
CID 46053044
N-(3-fluorophenyl)-5-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide
CID 109194372
N-[6-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2,2-dimethylpropanamide
CID 46157099
3-methyl-N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 113014298
3-fluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53014754
6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(3-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 16730301

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]benzamide?
The IUPAC name of 3-fluoro-N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]benzamide (CID 113014415) is 3-fluoro-N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]benzamide?
The canonical SMILES for 3-fluoro-N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]benzamide is O=C(Nc1ccc(N2CCN(c3ccccc3F)CC2)nc1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]benzamide?
The InChIKey is JUMVMCZCGFLELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N4O/c23-17-5-3-4-16(14-17)22(29)26-18-8-9-21(25-15-18)28-12-10-27(11-13-28)20-7-2-1-6-19(20)24/h1-9,14-15H,10-13H2,(H,26,29).
What are the key properties of 3-fluoro-N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]benzamide?
3-fluoro-N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]benzamide has a molecular weight of 394.43 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 113014415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).