5-chloro-1-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)pentan-1-ol;2-chloro-4-[2-(4-fluorophenyl)oxan-2-yl]pyridine;5-chloro-1-(4-fluorophenyl)pentan-1-one;fluorobenzene;4-[[4-[2-(4-fluorophenyl)oxan-2-yl]-2-oxo-1-pyridinyl]methyl]-N-hydroxybenzamide;4-[2-(4-fluorophenyl)oxan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)oxan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate

C114H111Cl4F7N6O13 — CID 161028907

IUPAC5-chloro-1-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)pentan-1-ol;2-chloro-4-[2-(4-fluorophenyl)oxan-2-yl]pyridine;5-chloro-1-(4-fluorophenyl)pentan-1-one;fluorobenzene;4-[[4-[2-(4-fluorophenyl)oxan-2-yl]-2-oxo-1-pyridinyl]methyl]-N-hydroxybenzamide;4-[2-(4-fluorophenyl)oxan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)oxan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate
SMILESCOC(=O)c1ccc(Cn2ccc(C3(c4ccc(F)cc4)CCCCO3)cc2=O)cc1.Fc1ccc(C2(c3ccnc(Cl)c3)CCCCO2)cc1.Fc1ccccc1.O=C(CCCCCl)c1ccc(F)cc1.O=C(NO)c1ccc(Cn2ccc(C3(c4ccc(F)cc4)CCCCO3)cc2=O)cc1.O=c1cc(C2(c3ccc(F)cc3)CCCCO2)cc[nH]1.OC(CCCCCl)(c1ccc(F)cc1)c1ccnc(Cl)c1
InChIInChI=1S/C25H24FNO4.C24H23FN2O4.C16H16Cl2FNO.C16H15ClFNO.C16H16FNO2.C11H12ClFO.C6H5F/c1-30-24(29)19-6-4-18(5-7-19)17-27-14-12-21(16-23(27)28)25(13-2-3-15-31-25)20-8-10-22(26)11-9-20;25-21-9-7-19(8-10-21)24(12-1-2-14-31-24)20-11-13-27(22(28)15-20)16-17-3-5-18(6-4-17)23(29)26-30;17-9-2-1-8-16(21,12-3-5-14(19)6-4-12)13-7-10-20-15(18)11-13;17-15-11-13(7-9-19-15)16(8-1-2-10-20-16)12-3-5-14(18)6-4-12;17-14-5-3-12(4-6-14)16(8-1-2-10-20-16)13-7-9-18-15(19)11-13;12-8-2-1-3-11(14)9-4-6-10(13)7-5-9;7-6-4-2-1-3-5-6/h4-12,14,16H,2-3,13,15,17H2,1H3;3-11,13,15,30H,1-2,12,14,16H2,(H,26,29);3-7,10-11,21H,1-2,8-9H2;3-7,9,11H,1-2,8,10H2;3-7,9,11H,1-2,8,10H2,(H,18,19);4-7H,1-3,8H2;1-5H
InChIKeyTZIQPAMMFYDHLW-UHFFFAOYSA-N
MW2047.97 g/mol
LogP24.90
Rot. Bonds25

About 5-chloro-1-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)pentan-1-ol;2-chloro-4-[2-(4-fluorophenyl)oxan-2-yl]pyridine;5-chloro-1-(4-fluorophenyl)pentan-1-one;fluorobenzene;4-[[4-[2-(4-fluorophenyl)oxan-2-yl]-2-oxo-1-pyridinyl]methyl]-N-hydroxybenzamide;4-[2-(4-fluorophenyl)oxan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)oxan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate

5-chloro-1-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)pentan-1-ol;2-chloro-4-[2-(4-fluorophenyl)oxan-2-yl]pyridine;5-chloro-1-(4-fluorophenyl)pentan-1-one;fluorobenzene;4-[[4-[2-(4-fluorophenyl)oxan-2-yl]-2-oxo-1-pyridinyl]methyl]-N-hydroxybenzamide;4-[2-(4-fluorophenyl)oxan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)oxan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate (PubChem CID 161028907) has the molecular formula C114H111Cl4F7N6O13 and a molecular weight of 2047.97 g/mol. Its IUPAC name is 5-chloro-1-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)pentan-1-ol;2-chloro-4-[2-(4-fluorophenyl)oxan-2-yl]pyridine;5-chloro-1-(4-fluorophenyl)pentan-1-one;fluorobenzene;4-[[4-[2-(4-fluorophenyl)oxan-2-yl]-2-oxo-1-pyridinyl]methyl]-N-hydroxybenzamide;4-[2-(4-fluorophenyl)oxan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)oxan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate.

Molecular Properties

Compound Name5-chloro-1-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)pentan-1-ol;2-chloro-4-[2-(4-fluorophenyl)oxan-2-yl]pyridine;5-chloro-1-(4-fluorophenyl)pentan-1-one;fluorobenzene;4-[[4-[2-(4-fluorophenyl)oxan-2-yl]-2-oxo-1-pyridinyl]methyl]-N-hydroxybenzamide;4-[2-(4-fluorophenyl)oxan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)oxan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate
PubChem CID161028907
Molecular FormulaC114H111Cl4F7N6O13
Molecular Weight2047.97 g/mol
Exact Mass2044.69
IUPAC Name5-chloro-1-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)pentan-1-ol;2-chloro-4-[2-(4-fluorophenyl)oxan-2-yl]pyridine;5-chloro-1-(4-fluorophenyl)pentan-1-one;fluorobenzene;4-[[4-[2-(4-fluorophenyl)oxan-2-yl]-2-oxo-1-pyridinyl]methyl]-N-hydroxybenzamide;4-[2-(4-fluorophenyl)oxan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)oxan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate
SMILESCOC(=O)c1ccc(Cn2ccc(C3(c4ccc(F)cc4)CCCCO3)cc2=O)cc1.Fc1ccc(C2(c3ccnc(Cl)c3)CCCCO2)cc1.Fc1ccccc1.O=C(CCCCCl)c1ccc(F)cc1.O=C(NO)c1ccc(Cn2ccc(C3(c4ccc(F)cc4)CCCCO3)cc2=O)cc1.O=c1cc(C2(c3ccc(F)cc3)CCCCO2)cc[nH]1.OC(CCCCCl)(c1ccc(F)cc1)c1ccnc(Cl)c1
InChIInChI=1S/C25H24FNO4.C24H23FN2O4.C16H16Cl2FNO.C16H15ClFNO.C16H16FNO2.C11H12ClFO.C6H5F/c1-30-24(29)19-6-4-18(5-7-19)17-27-14-12-21(16-23(27)28)25(13-2-3-15-31-25)20-8-10-22(26)11-9-20;25-21-9-7-19(8-10-21)24(12-1-2-14-31-24)20-11-13-27(22(28)15-20)16-17-3-5-18(6-4-17)23(29)26-30;17-9-2-1-8-16(21,12-3-5-14(19)6-4-12)13-7-10-20-15(18)11-13;17-15-11-13(7-9-19-15)16(8-1-2-10-20-16)12-3-5-14(18)6-4-12;17-14-5-3-12(4-6-14)16(8-1-2-10-20-16)13-7-9-18-15(19)11-13;12-8-2-1-3-11(14)9-4-6-10(13)7-5-9;7-6-4-2-1-3-5-6/h4-12,14,16H,2-3,13,15,17H2,1H3;3-11,13,15,30H,1-2,12,14,16H2,(H,26,29);3-7,10-11,21H,1-2,8-9H2;3-7,9,11H,1-2,8,10H2;3-7,9,11H,1-2,8,10H2,(H,18,19);4-7H,1-3,8H2;1-5H
InChIKeyTZIQPAMMFYDHLW-UHFFFAOYSA-N
XLogP24.90
TPSA252.49 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds25
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002047.97
LogP ≤ 524.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-chloro-1-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)pentan-1-ol;2-chloro-4-[2-(4-fluorophenyl)oxan-2-yl]pyridine;5-chloro-1-(4-fluorophenyl)pentan-1-one;fluorobenzene;4-[[4-[2-(4-fluorophenyl)oxan-2-yl]-2-oxo-1-pyridinyl]methyl]-N-hydroxybenzamide;4-[2-(4-fluorophenyl)oxan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)oxan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)pentan-1-ol;2-chloro-4-[2-(4-fluorophenyl)oxan-2-yl]pyridine;5-chloro-1-(4-fluorophenyl)pentan-1-one;fluorobenzene;4-[[4-[2-(4-fluorophenyl)oxan-2-yl]-2-oxo-1-pyridinyl]methyl]-N-hydroxybenzamide;4-[2-(4-fluorophenyl)oxan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)oxan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate?
The IUPAC name of 5-chloro-1-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)pentan-1-ol;2-chloro-4-[2-(4-fluorophenyl)oxan-2-yl]pyridine;5-chloro-1-(4-fluorophenyl)pentan-1-one;fluorobenzene;4-[[4-[2-(4-fluorophenyl)oxan-2-yl]-2-oxo-1-pyridinyl]methyl]-N-hydroxybenzamide;4-[2-(4-fluorophenyl)oxan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)oxan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate (CID 161028907) is 5-chloro-1-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)pentan-1-ol;2-chloro-4-[2-(4-fluorophenyl)oxan-2-yl]pyridine;5-chloro-1-(4-fluorophenyl)pentan-1-one;fluorobenzene;4-[[4-[2-(4-fluorophenyl)oxan-2-yl]-2-oxo-1-pyridinyl]methyl]-N-hydroxybenzamide;4-[2-(4-fluorophenyl)oxan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)oxan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate.
What is the SMILES notation for 5-chloro-1-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)pentan-1-ol;2-chloro-4-[2-(4-fluorophenyl)oxan-2-yl]pyridine;5-chloro-1-(4-fluorophenyl)pentan-1-one;fluorobenzene;4-[[4-[2-(4-fluorophenyl)oxan-2-yl]-2-oxo-1-pyridinyl]methyl]-N-hydroxybenzamide;4-[2-(4-fluorophenyl)oxan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)oxan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate?
The canonical SMILES for 5-chloro-1-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)pentan-1-ol;2-chloro-4-[2-(4-fluorophenyl)oxan-2-yl]pyridine;5-chloro-1-(4-fluorophenyl)pentan-1-one;fluorobenzene;4-[[4-[2-(4-fluorophenyl)oxan-2-yl]-2-oxo-1-pyridinyl]methyl]-N-hydroxybenzamide;4-[2-(4-fluorophenyl)oxan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)oxan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate is COC(=O)c1ccc(Cn2ccc(C3(c4ccc(F)cc4)CCCCO3)cc2=O)cc1.Fc1ccc(C2(c3ccnc(Cl)c3)CCCCO2)cc1.Fc1ccccc1.O=C(CCCCCl)c1ccc(F)cc1.O=C(NO)c1ccc(Cn2ccc(C3(c4ccc(F)cc4)CCCCO3)cc2=O)cc1.O=c1cc(C2(c3ccc(F)cc3)CCCCO2)cc[nH]1.OC(CCCCCl)(c1ccc(F)cc1)c1ccnc(Cl)c1.
What is the InChIKey of 5-chloro-1-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)pentan-1-ol;2-chloro-4-[2-(4-fluorophenyl)oxan-2-yl]pyridine;5-chloro-1-(4-fluorophenyl)pentan-1-one;fluorobenzene;4-[[4-[2-(4-fluorophenyl)oxan-2-yl]-2-oxo-1-pyridinyl]methyl]-N-hydroxybenzamide;4-[2-(4-fluorophenyl)oxan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)oxan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate?
The InChIKey is TZIQPAMMFYDHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FNO4.C24H23FN2O4.C16H16Cl2FNO.C16H15ClFNO.C16H16FNO2.C11H12ClFO.C6H5F/c1-30-24(29)19-6-4-18(5-7-19)17-27-14-12-21(16-23(27)28)25(13-2-3-15-31-25)20-8-10-22(26)11-9-20;25-21-9-7-19(8-10-21)24(12-1-2-14-31-24)20-11-13-27(22(28)15-20)16-17-3-5-18(6-4-17)23(29)26-30;17-9-2-1-8-16(21,12-3-5-14(19)6-4-12)13-7-10-20-15(18)11-13;17-15-11-13(7-9-19-15)16(8-1-2-10-20-16)12-3-5-14(18)6-4-12;17-14-5-3-12(4-6-14)16(8-1-2-10-20-16)13-7-9-18-15(19)11-13;12-8-2-1-3-11(14)9-4-6-10(13)7-5-9;7-6-4-2-1-3-5-6/h4-12,14,16H,2-3,13,15,17H2,1H3;3-11,13,15,30H,1-2,12,14,16H2,(H,26,29);3-7,10-11,21H,1-2,8-9H2;3-7,9,11H,1-2,8,10H2;3-7,9,11H,1-2,8,10H2,(H,18,19);4-7H,1-3,8H2;1-5H.
What are the key properties of 5-chloro-1-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)pentan-1-ol;2-chloro-4-[2-(4-fluorophenyl)oxan-2-yl]pyridine;5-chloro-1-(4-fluorophenyl)pentan-1-one;fluorobenzene;4-[[4-[2-(4-fluorophenyl)oxan-2-yl]-2-oxo-1-pyridinyl]methyl]-N-hydroxybenzamide;4-[2-(4-fluorophenyl)oxan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)oxan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate?
5-chloro-1-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)pentan-1-ol;2-chloro-4-[2-(4-fluorophenyl)oxan-2-yl]pyridine;5-chloro-1-(4-fluorophenyl)pentan-1-one;fluorobenzene;4-[[4-[2-(4-fluorophenyl)oxan-2-yl]-2-oxo-1-pyridinyl]methyl]-N-hydroxybenzamide;4-[2-(4-fluorophenyl)oxan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)oxan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate has a molecular weight of 2047.97 g/mol, XLogP of 24.90, 25 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)pentan-1-ol;2-chloro-4-[2-(4-fluorophenyl)oxan-2-yl]pyridine;5-chloro-1-(4-fluorophenyl)pentan-1-one;fluorobenzene;4-[[4-[2-(4-fluorophenyl)oxan-2-yl]-2-oxo-1-pyridinyl]methyl]-N-hydroxybenzamide;4-[2-(4-fluorophenyl)oxan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)oxan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate is sourced from PubChem (CID 161028907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).