(2,3-dichlorophenyl)-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone

C16H11Cl2F4N3O — CID 133371366

IUPAC(2,3-dichlorophenyl)-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone
SMILESO=C(c1cccc(Cl)c1Cl)N1CCN(c2c(F)c(F)nc(F)c2F)CC1
InChIInChI=1S/C16H11Cl2F4N3O/c17-9-3-1-2-8(10(9)18)16(26)25-6-4-24(5-7-25)13-11(19)14(21)23-15(22)12(13)20/h1-3H,4-7H2
InChIKeyNPPSPIQGAIHVQX-UHFFFAOYSA-N
MW408.18 g/mol
LogP3.91
Rot. Bonds2

About (2,3-dichlorophenyl)-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone

(2,3-dichlorophenyl)-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone (PubChem CID 133371366) has the molecular formula C16H11Cl2F4N3O and a molecular weight of 408.18 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone
PubChem CID133371366
Molecular FormulaC16H11Cl2F4N3O
Molecular Weight408.18 g/mol
Exact Mass407.02
IUPAC Name(2,3-dichlorophenyl)-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone
SMILESO=C(c1cccc(Cl)c1Cl)N1CCN(c2c(F)c(F)nc(F)c2F)CC1
InChIInChI=1S/C16H11Cl2F4N3O/c17-9-3-1-2-8(10(9)18)16(26)25-6-4-24(5-7-25)13-11(19)14(21)23-15(22)12(13)20/h1-3H,4-7H2
InChIKeyNPPSPIQGAIHVQX-UHFFFAOYSA-N
XLogP3.91
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.18
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(difluoromethoxy)phenyl]-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone
CID 133371027
(2,3-dichlorophenyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
CID 133328039
(2,3-dichlorophenyl)-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]methanone
CID 87029905
[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 133370657
(2,3-dichlorophenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023174
(4-methylphenyl)-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone
CID 133371264
(2,3-dichlorophenyl)-morpholin-4-ylmethanone
CID 1247473
2-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-5-fluorobenzonitrile
CID 133318009
(2,3-dichlorophenyl)-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone
CID 166222970
(2,3-dichlorophenyl)-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone
CID 86996550
azepan-1-yl-(3-chloro-2-fluorophenyl)methanone
CID 80949460
[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 55586250

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone?
The IUPAC name of (2,3-dichlorophenyl)-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone (CID 133371366) is (2,3-dichlorophenyl)-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,3-dichlorophenyl)-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone?
The canonical SMILES for (2,3-dichlorophenyl)-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone is O=C(c1cccc(Cl)c1Cl)N1CCN(c2c(F)c(F)nc(F)c2F)CC1.
What is the InChIKey of (2,3-dichlorophenyl)-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone?
The InChIKey is NPPSPIQGAIHVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2F4N3O/c17-9-3-1-2-8(10(9)18)16(26)25-6-4-24(5-7-25)13-11(19)14(21)23-15(22)12(13)20/h1-3H,4-7H2.
What are the key properties of (2,3-dichlorophenyl)-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone?
(2,3-dichlorophenyl)-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone has a molecular weight of 408.18 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone is sourced from PubChem (CID 133371366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).