tert-butyl N-[2-[4-(1-acetamidocyclobutyl)-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-2-hydroxypropyl]carbamate;N-[1-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]cyclobutyl]acetamide;N-[1-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)cyclobutyl]acetamide;2,6-dichloro-4-iodopyridine;1-(2,6-dichloro-4-pyridinyl)cyclobutan-1-ol;N-[1-(2,6-dichloro-4-pyridinyl)cyclobutyl]acetamide

C84H91Cl9F2IN11O8 — CID 158108332

IUPACtert-butyl N-[2-[4-(1-acetamidocyclobutyl)-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-2-hydroxypropyl]carbamate;N-[1-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]cyclobutyl]acetamide;N-[1-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)cyclobutyl]acetamide;2,6-dichloro-4-iodopyridine;1-(2,6-dichloro-4-pyridinyl)cyclobutan-1-ol;N-[1-(2,6-dichloro-4-pyridinyl)cyclobutyl]acetamide
SMILESC=C(C)c1cc(C2(NC(C)=O)CCC2)cc(-c2ccc(F)c(Cl)c2)n1.C=C(C)c1cc(C2(NC(C)=O)CCC2)cc(Cl)n1.CC(=O)NC1(c2cc(-c3ccc(F)c(Cl)c3)nc(C(C)(O)CNC(=O)OC(C)(C)C)c2)CCC1.CC(=O)NC1(c2cc(Cl)nc(Cl)c2)CCC1.Clc1cc(I)cc(Cl)n1.OC1(c2cc(Cl)nc(Cl)c2)CCC1
InChIInChI=1S/C25H31ClFN3O4.C20H20ClFN2O.C14H17ClN2O.C11H12Cl2N2O.C9H9Cl2NO.C5H2Cl2IN/c1-15(31)30-25(9-6-10-25)17-12-20(16-7-8-19(27)18(26)11-16)29-21(13-17)24(5,33)14-28-22(32)34-23(2,3)4;1-12(2)18-10-15(20(7-4-8-20)24-13(3)25)11-19(23-18)14-5-6-17(22)16(21)9-14;1-9(2)12-7-11(8-13(15)16-12)14(5-4-6-14)17-10(3)18;1-7(16)15-11(3-2-4-11)8-5-9(12)14-10(13)6-8;10-7-4-6(5-8(11)12-7)9(13)2-1-3-9;6-4-1-3(8)2-5(7)9-4/h7-8,11-13,33H,6,9-10,14H2,1-5H3,(H,28,32)(H,30,31);5-6,9-11H,1,4,7-8H2,2-3H3,(H,24,25);7-8H,1,4-6H2,2-3H3,(H,17,18);5-6H,2-4H2,1H3,(H,15,16);4-5,13H,1-3H2;1-2H
InChIKeyFQCMNNXINHCYAP-UHFFFAOYSA-N
MW1866.70 g/mol
LogP21.82
Rot. Bonds16

About tert-butyl N-[2-[4-(1-acetamidocyclobutyl)-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-2-hydroxypropyl]carbamate;N-[1-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]cyclobutyl]acetamide;N-[1-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)cyclobutyl]acetamide;2,6-dichloro-4-iodopyridine;1-(2,6-dichloro-4-pyridinyl)cyclobutan-1-ol;N-[1-(2,6-dichloro-4-pyridinyl)cyclobutyl]acetamide

tert-butyl N-[2-[4-(1-acetamidocyclobutyl)-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-2-hydroxypropyl]carbamate;N-[1-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]cyclobutyl]acetamide;N-[1-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)cyclobutyl]acetamide;2,6-dichloro-4-iodopyridine;1-(2,6-dichloro-4-pyridinyl)cyclobutan-1-ol;N-[1-(2,6-dichloro-4-pyridinyl)cyclobutyl]acetamide (PubChem CID 158108332) has the molecular formula C84H91Cl9F2IN11O8 and a molecular weight of 1866.70 g/mol. Its IUPAC name is tert-butyl N-[2-[4-(1-acetamidocyclobutyl)-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-2-hydroxypropyl]carbamate;N-[1-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]cyclobutyl]acetamide;N-[1-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)cyclobutyl]acetamide;2,6-dichloro-4-iodopyridine;1-(2,6-dichloro-4-pyridinyl)cyclobutan-1-ol;N-[1-(2,6-dichloro-4-pyridinyl)cyclobutyl]acetamide.

Molecular Properties

Compound Nametert-butyl N-[2-[4-(1-acetamidocyclobutyl)-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-2-hydroxypropyl]carbamate;N-[1-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]cyclobutyl]acetamide;N-[1-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)cyclobutyl]acetamide;2,6-dichloro-4-iodopyridine;1-(2,6-dichloro-4-pyridinyl)cyclobutan-1-ol;N-[1-(2,6-dichloro-4-pyridinyl)cyclobutyl]acetamide
PubChem CID158108332
Molecular FormulaC84H91Cl9F2IN11O8
Molecular Weight1866.70 g/mol
Exact Mass1861.33
IUPAC Nametert-butyl N-[2-[4-(1-acetamidocyclobutyl)-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-2-hydroxypropyl]carbamate;N-[1-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]cyclobutyl]acetamide;N-[1-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)cyclobutyl]acetamide;2,6-dichloro-4-iodopyridine;1-(2,6-dichloro-4-pyridinyl)cyclobutan-1-ol;N-[1-(2,6-dichloro-4-pyridinyl)cyclobutyl]acetamide
SMILESC=C(C)c1cc(C2(NC(C)=O)CCC2)cc(-c2ccc(F)c(Cl)c2)n1.C=C(C)c1cc(C2(NC(C)=O)CCC2)cc(Cl)n1.CC(=O)NC1(c2cc(-c3ccc(F)c(Cl)c3)nc(C(C)(O)CNC(=O)OC(C)(C)C)c2)CCC1.CC(=O)NC1(c2cc(Cl)nc(Cl)c2)CCC1.Clc1cc(I)cc(Cl)n1.OC1(c2cc(Cl)nc(Cl)c2)CCC1
InChIInChI=1S/C25H31ClFN3O4.C20H20ClFN2O.C14H17ClN2O.C11H12Cl2N2O.C9H9Cl2NO.C5H2Cl2IN/c1-15(31)30-25(9-6-10-25)17-12-20(16-7-8-19(27)18(26)11-16)29-21(13-17)24(5,33)14-28-22(32)34-23(2,3)4;1-12(2)18-10-15(20(7-4-8-20)24-13(3)25)11-19(23-18)14-5-6-17(22)16(21)9-14;1-9(2)12-7-11(8-13(15)16-12)14(5-4-6-14)17-10(3)18;1-7(16)15-11(3-2-4-11)8-5-9(12)14-10(13)6-8;10-7-4-6(5-8(11)12-7)9(13)2-1-3-9;6-4-1-3(8)2-5(7)9-4/h7-8,11-13,33H,6,9-10,14H2,1-5H3,(H,28,32)(H,30,31);5-6,9-11H,1,4,7-8H2,2-3H3,(H,24,25);7-8H,1,4-6H2,2-3H3,(H,17,18);5-6H,2-4H2,1H3,(H,15,16);4-5,13H,1-3H2;1-2H
InChIKeyFQCMNNXINHCYAP-UHFFFAOYSA-N
XLogP21.82
TPSA272.53 Ų
H-Bond Donors7
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms115
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001866.70
LogP ≤ 521.82
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze tert-butyl N-[2-[4-(1-acetamidocyclobutyl)-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-2-hydroxypropyl]carbamate;N-[1-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]cyclobutyl]acetamide;N-[1-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)cyclobutyl]acetamide;2,6-dichloro-4-iodopyridine;1-(2,6-dichloro-4-pyridinyl)cyclobutan-1-ol;N-[1-(2,6-dichloro-4-pyridinyl)cyclobutyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-(1-acetamidocyclobutyl)-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-2-hydroxypropyl]carbamate;N-[1-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]cyclobutyl]acetamide;N-[1-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)cyclobutyl]acetamide;2,6-dichloro-4-iodopyridine;1-(2,6-dichloro-4-pyridinyl)cyclobutan-1-ol;N-[1-(2,6-dichloro-4-pyridinyl)cyclobutyl]acetamide?
The IUPAC name of tert-butyl N-[2-[4-(1-acetamidocyclobutyl)-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-2-hydroxypropyl]carbamate;N-[1-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]cyclobutyl]acetamide;N-[1-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)cyclobutyl]acetamide;2,6-dichloro-4-iodopyridine;1-(2,6-dichloro-4-pyridinyl)cyclobutan-1-ol;N-[1-(2,6-dichloro-4-pyridinyl)cyclobutyl]acetamide (CID 158108332) is tert-butyl N-[2-[4-(1-acetamidocyclobutyl)-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-2-hydroxypropyl]carbamate;N-[1-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]cyclobutyl]acetamide;N-[1-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)cyclobutyl]acetamide;2,6-dichloro-4-iodopyridine;1-(2,6-dichloro-4-pyridinyl)cyclobutan-1-ol;N-[1-(2,6-dichloro-4-pyridinyl)cyclobutyl]acetamide.
What is the SMILES notation for tert-butyl N-[2-[4-(1-acetamidocyclobutyl)-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-2-hydroxypropyl]carbamate;N-[1-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]cyclobutyl]acetamide;N-[1-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)cyclobutyl]acetamide;2,6-dichloro-4-iodopyridine;1-(2,6-dichloro-4-pyridinyl)cyclobutan-1-ol;N-[1-(2,6-dichloro-4-pyridinyl)cyclobutyl]acetamide?
The canonical SMILES for tert-butyl N-[2-[4-(1-acetamidocyclobutyl)-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-2-hydroxypropyl]carbamate;N-[1-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]cyclobutyl]acetamide;N-[1-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)cyclobutyl]acetamide;2,6-dichloro-4-iodopyridine;1-(2,6-dichloro-4-pyridinyl)cyclobutan-1-ol;N-[1-(2,6-dichloro-4-pyridinyl)cyclobutyl]acetamide is C=C(C)c1cc(C2(NC(C)=O)CCC2)cc(-c2ccc(F)c(Cl)c2)n1.C=C(C)c1cc(C2(NC(C)=O)CCC2)cc(Cl)n1.CC(=O)NC1(c2cc(-c3ccc(F)c(Cl)c3)nc(C(C)(O)CNC(=O)OC(C)(C)C)c2)CCC1.CC(=O)NC1(c2cc(Cl)nc(Cl)c2)CCC1.Clc1cc(I)cc(Cl)n1.OC1(c2cc(Cl)nc(Cl)c2)CCC1.
What is the InChIKey of tert-butyl N-[2-[4-(1-acetamidocyclobutyl)-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-2-hydroxypropyl]carbamate;N-[1-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]cyclobutyl]acetamide;N-[1-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)cyclobutyl]acetamide;2,6-dichloro-4-iodopyridine;1-(2,6-dichloro-4-pyridinyl)cyclobutan-1-ol;N-[1-(2,6-dichloro-4-pyridinyl)cyclobutyl]acetamide?
The InChIKey is FQCMNNXINHCYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClFN3O4.C20H20ClFN2O.C14H17ClN2O.C11H12Cl2N2O.C9H9Cl2NO.C5H2Cl2IN/c1-15(31)30-25(9-6-10-25)17-12-20(16-7-8-19(27)18(26)11-16)29-21(13-17)24(5,33)14-28-22(32)34-23(2,3)4;1-12(2)18-10-15(20(7-4-8-20)24-13(3)25)11-19(23-18)14-5-6-17(22)16(21)9-14;1-9(2)12-7-11(8-13(15)16-12)14(5-4-6-14)17-10(3)18;1-7(16)15-11(3-2-4-11)8-5-9(12)14-10(13)6-8;10-7-4-6(5-8(11)12-7)9(13)2-1-3-9;6-4-1-3(8)2-5(7)9-4/h7-8,11-13,33H,6,9-10,14H2,1-5H3,(H,28,32)(H,30,31);5-6,9-11H,1,4,7-8H2,2-3H3,(H,24,25);7-8H,1,4-6H2,2-3H3,(H,17,18);5-6H,2-4H2,1H3,(H,15,16);4-5,13H,1-3H2;1-2H.
What are the key properties of tert-butyl N-[2-[4-(1-acetamidocyclobutyl)-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-2-hydroxypropyl]carbamate;N-[1-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]cyclobutyl]acetamide;N-[1-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)cyclobutyl]acetamide;2,6-dichloro-4-iodopyridine;1-(2,6-dichloro-4-pyridinyl)cyclobutan-1-ol;N-[1-(2,6-dichloro-4-pyridinyl)cyclobutyl]acetamide?
tert-butyl N-[2-[4-(1-acetamidocyclobutyl)-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-2-hydroxypropyl]carbamate;N-[1-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]cyclobutyl]acetamide;N-[1-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)cyclobutyl]acetamide;2,6-dichloro-4-iodopyridine;1-(2,6-dichloro-4-pyridinyl)cyclobutan-1-ol;N-[1-(2,6-dichloro-4-pyridinyl)cyclobutyl]acetamide has a molecular weight of 1866.70 g/mol, XLogP of 21.82, 16 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-(1-acetamidocyclobutyl)-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-2-hydroxypropyl]carbamate;N-[1-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]cyclobutyl]acetamide;N-[1-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)cyclobutyl]acetamide;2,6-dichloro-4-iodopyridine;1-(2,6-dichloro-4-pyridinyl)cyclobutan-1-ol;N-[1-(2,6-dichloro-4-pyridinyl)cyclobutyl]acetamide is sourced from PubChem (CID 158108332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).