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

C22H20F2N4O — CID 113014414

IUPAC2-fluoro-N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(N2CCN(c3ccccc3F)CC2)nc1)c1ccccc1F
InChIInChI=1S/C22H20F2N4O/c23-18-6-2-1-5-17(18)22(29)26-16-9-10-21(25-15-16)28-13-11-27(12-14-28)20-8-4-3-7-19(20)24/h1-10,15H,11-14H2,(H,26,29)
InChIKeyGMWWZWWYCDOZBX-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.94
Rot. Bonds4

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

2-fluoro-N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]benzamide (PubChem CID 113014414) has the molecular formula C22H20F2N4O and a molecular weight of 394.43 g/mol. Its IUPAC name is 2-fluoro-N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]benzamide
PubChem CID113014414
Molecular FormulaC22H20F2N4O
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name2-fluoro-N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(N2CCN(c3ccccc3F)CC2)nc1)c1ccccc1F
InChIInChI=1S/C22H20F2N4O/c23-18-6-2-1-5-17(18)22(29)26-16-9-10-21(25-15-16)28-13-11-27(12-14-28)20-8-4-3-7-19(20)24/h1-10,15H,11-14H2,(H,26,29)
InChIKeyGMWWZWWYCDOZBX-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

3-fluoro-N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 113014415
2-fluoro-N-[6-[4-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 42857382
N-[6-(4-benzoyl-1,4-diazepan-1-yl)-3-pyridinyl]-2-fluorobenzamide
CID 46053170
N-[6-(4-benzyl-1,4-diazepan-1-yl)-3-pyridinyl]-2-fluorobenzamide
CID 46053831
ethyl N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]carbamate
CID 113014423
N-[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-2-fluorobenzamide
CID 113015459
N-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]-2-fluorobenzamide
CID 113016676
2-fluoro-N-[6-[4-(2-hydroxypropyl)-1,4-diazepan-1-yl]-3-pyridinyl]benzamide
CID 42857888
2-fluoro-N-[6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide
CID 42850234
2-fluoro-N-[6-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide
CID 42857384
5-[(2-fluorobenzoyl)amino]-2-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid
CID 46363069
N-[6-[4-(2-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-4-methylbenzamide
CID 46041978

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]benzamide?
The IUPAC name of 2-fluoro-N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]benzamide (CID 113014414) is 2-fluoro-N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]benzamide?
The canonical SMILES for 2-fluoro-N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]benzamide is O=C(Nc1ccc(N2CCN(c3ccccc3F)CC2)nc1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]benzamide?
The InChIKey is GMWWZWWYCDOZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N4O/c23-18-6-2-1-5-17(18)22(29)26-16-9-10-21(25-15-16)28-13-11-27(12-14-28)20-8-4-3-7-19(20)24/h1-10,15H,11-14H2,(H,26,29).
What are the key properties of 2-fluoro-N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]benzamide?
2-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 2-fluoro-N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 113014414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).