2-fluoro-N-[2-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]ethyl]benzamide

C18H17F5N4O — CID 133372539

IUPAC2-fluoro-N-[2-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]ethyl]benzamide
SMILESO=C(NCCN1CCN(c2c(F)c(F)nc(F)c2F)CC1)c1ccccc1F
InChIInChI=1S/C18H17F5N4O/c19-12-4-2-1-3-11(12)18(28)24-5-6-26-7-9-27(10-8-26)15-13(20)16(22)25-17(23)14(15)21/h1-4H,5-10H2,(H,24,28)
InChIKeyUUFKRHWHNNTAGN-UHFFFAOYSA-N
MW400.35 g/mol
LogP2.33
Rot. Bonds5

About 2-fluoro-N-[2-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]ethyl]benzamide

2-fluoro-N-[2-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]ethyl]benzamide (PubChem CID 133372539) has the molecular formula C18H17F5N4O and a molecular weight of 400.35 g/mol. Its IUPAC name is 2-fluoro-N-[2-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]ethyl]benzamide
PubChem CID133372539
Molecular FormulaC18H17F5N4O
Molecular Weight400.35 g/mol
Exact Mass400.13
IUPAC Name2-fluoro-N-[2-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]ethyl]benzamide
SMILESO=C(NCCN1CCN(c2c(F)c(F)nc(F)c2F)CC1)c1ccccc1F
InChIInChI=1S/C18H17F5N4O/c19-12-4-2-1-3-11(12)18(28)24-5-6-26-7-9-27(10-8-26)15-13(20)16(22)25-17(23)14(15)21/h1-4H,5-10H2,(H,24,28)
InChIKeyUUFKRHWHNNTAGN-UHFFFAOYSA-N
XLogP2.33
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.35
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-[2-[4-(2-fluorobenzoyl)piperazin-1-yl]ethyl]benzamide
CID 3455522
N-[2-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]ethyl]-2-fluorobenzamide
CID 133293554
N-[2-[4-(2-amino-2-methylpropyl)piperazin-1-yl]ethyl]-2-fluorobenzamide
CID 120848299
2-fluoro-N-[2-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethyl]benzamide
CID 111488179
5-chloro-2-fluoro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 38756062
4-[4-[2-[(2-fluorobenzoyl)amino]ethyl]piperazin-1-yl]pyridine-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 154771495
N-[5-(4-ethylpiperazin-1-yl)pentyl]-2-fluorobenzamide
CID 110444095
2-fluoro-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]benzamide
CID 46993248
2-fluoro-N-[2-[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]ethyl]benzamide
CID 133293544
2-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide
CID 107362791
N-[2-[4-(2-cyano-4-nitrophenyl)piperazin-1-yl]ethyl]-2-fluorobenzamide
CID 133293555
2-amino-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide
CID 119947503

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]ethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]ethyl]benzamide (CID 133372539) is 2-fluoro-N-[2-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]ethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]ethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]ethyl]benzamide is O=C(NCCN1CCN(c2c(F)c(F)nc(F)c2F)CC1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[2-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]ethyl]benzamide?
The InChIKey is UUFKRHWHNNTAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F5N4O/c19-12-4-2-1-3-11(12)18(28)24-5-6-26-7-9-27(10-8-26)15-13(20)16(22)25-17(23)14(15)21/h1-4H,5-10H2,(H,24,28).
What are the key properties of 2-fluoro-N-[2-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]ethyl]benzamide?
2-fluoro-N-[2-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]ethyl]benzamide has a molecular weight of 400.35 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]ethyl]benzamide is sourced from PubChem (CID 133372539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).