N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]propyl]-2,6-dichlorobenzamide;N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]propyl]-2-fluoro-6-iodobenzamide;N-[3-[[4-(4-aminophenyl)pyrimidin-2-yl]amino]propyl]-2,6-dichlorobenzamide;2,6-dichloro-N-[3-[[4-(2,4-dichlorophenyl)pyrimidin-2-yl]amino]propyl]benzamide;2,6-dichloro-N-[3-[[4-(2,3-dihydro-1-benzofuran-6-yl)pyrimidin-2-yl]amino]propyl]benzamide;2,6-dichloro-N-[3-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]propyl]benzamide

C128H120Cl12FIN28O9 — CID 159897824

IUPACN-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]propyl]-2,6-dichlorobenzamide;N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]propyl]-2-fluoro-6-iodobenzamide;N-[3-[[4-(4-aminophenyl)pyrimidin-2-yl]amino]propyl]-2,6-dichlorobenzamide;2,6-dichloro-N-[3-[[4-(2,4-dichlorophenyl)pyrimidin-2-yl]amino]propyl]benzamide;2,6-dichloro-N-[3-[[4-(2,3-dihydro-1-benzofuran-6-yl)pyrimidin-2-yl]amino]propyl]benzamide;2,6-dichloro-N-[3-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]propyl]benzamide
SMILESCC(=O)Nc1ccc(-c2ccnc(NCCCNC(=O)c3c(Cl)cccc3Cl)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(NCCCNC(=O)c3c(F)cccc3I)n2)cc1.CN(C)c1ccc(-c2ccnc(NCCCNC(=O)c3c(Cl)cccc3Cl)n2)cc1.Nc1ccc(-c2ccnc(NCCCNC(=O)c3c(Cl)cccc3Cl)n2)cc1.O=C(NCCCNc1nccc(-c2ccc(Cl)cc2Cl)n1)c1c(Cl)cccc1Cl.O=C(NCCCNc1nccc(-c2ccc3c(c2)OCC3)n1)c1c(Cl)cccc1Cl
InChIInChI=1S/C22H21Cl2N5O2.C22H23Cl2N5O.C22H20Cl2N4O2.C22H21FIN5O2.C20H16Cl4N4O.C20H19Cl2N5O/c1-14(30)28-16-8-6-15(7-9-16)19-10-13-27-22(29-19)26-12-3-11-25-21(31)20-17(23)4-2-5-18(20)24;1-29(2)16-9-7-15(8-10-16)19-11-14-27-22(28-19)26-13-4-12-25-21(30)20-17(23)5-3-6-18(20)24;23-16-3-1-4-17(24)20(16)21(29)25-9-2-10-26-22-27-11-7-18(28-22)15-6-5-14-8-12-30-19(14)13-15;1-14(30)28-16-8-6-15(7-9-16)19-10-13-27-22(29-19)26-12-3-11-25-21(31)20-17(23)4-2-5-18(20)24;21-12-5-6-13(16(24)11-12)17-7-10-27-20(28-17)26-9-2-8-25-19(29)18-14(22)3-1-4-15(18)23;21-15-3-1-4-16(22)18(15)19(28)24-10-2-11-25-20-26-12-9-17(27-20)13-5-7-14(23)8-6-13/h2,4-10,13H,3,11-12H2,1H3,(H,25,31)(H,28,30)(H,26,27,29);3,5-11,14H,4,12-13H2,1-2H3,(H,25,30)(H,26,27,28);1,3-7,11,13H,2,8-10,12H2,(H,25,29)(H,26,27,28);2,4-10,13H,3,11-12H2,1H3,(H,25,31)(H,28,30)(H,26,27,29);1,3-7,10-11H,2,8-9H2,(H,25,29)(H,26,27,28);1,3-9,12H,2,10-11,23H2,(H,24,28)(H,25,26,27)
InChIKeyNVOLSJWHZCPTKG-UHFFFAOYSA-N
MW2765.89 g/mol
LogP28.34
Rot. Bonds45

About N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]propyl]-2,6-dichlorobenzamide;N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]propyl]-2-fluoro-6-iodobenzamide;N-[3-[[4-(4-aminophenyl)pyrimidin-2-yl]amino]propyl]-2,6-dichlorobenzamide;2,6-dichloro-N-[3-[[4-(2,4-dichlorophenyl)pyrimidin-2-yl]amino]propyl]benzamide;2,6-dichloro-N-[3-[[4-(2,3-dihydro-1-benzofuran-6-yl)pyrimidin-2-yl]amino]propyl]benzamide;2,6-dichloro-N-[3-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]propyl]benzamide

N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]propyl]-2,6-dichlorobenzamide;N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]propyl]-2-fluoro-6-iodobenzamide;N-[3-[[4-(4-aminophenyl)pyrimidin-2-yl]amino]propyl]-2,6-dichlorobenzamide;2,6-dichloro-N-[3-[[4-(2,4-dichlorophenyl)pyrimidin-2-yl]amino]propyl]benzamide;2,6-dichloro-N-[3-[[4-(2,3-dihydro-1-benzofuran-6-yl)pyrimidin-2-yl]amino]propyl]benzamide;2,6-dichloro-N-[3-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]propyl]benzamide (PubChem CID 159897824) has the molecular formula C128H120Cl12FIN28O9 and a molecular weight of 2765.89 g/mol. Its IUPAC name is N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]propyl]-2,6-dichlorobenzamide;N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]propyl]-2-fluoro-6-iodobenzamide;N-[3-[[4-(4-aminophenyl)pyrimidin-2-yl]amino]propyl]-2,6-dichlorobenzamide;2,6-dichloro-N-[3-[[4-(2,4-dichlorophenyl)pyrimidin-2-yl]amino]propyl]benzamide;2,6-dichloro-N-[3-[[4-(2,3-dihydro-1-benzofuran-6-yl)pyrimidin-2-yl]amino]propyl]benzamide;2,6-dichloro-N-[3-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]propyl]benzamide.

Molecular Properties

Compound NameN-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]propyl]-2,6-dichlorobenzamide;N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]propyl]-2-fluoro-6-iodobenzamide;N-[3-[[4-(4-aminophenyl)pyrimidin-2-yl]amino]propyl]-2,6-dichlorobenzamide;2,6-dichloro-N-[3-[[4-(2,4-dichlorophenyl)pyrimidin-2-yl]amino]propyl]benzamide;2,6-dichloro-N-[3-[[4-(2,3-dihydro-1-benzofuran-6-yl)pyrimidin-2-yl]amino]propyl]benzamide;2,6-dichloro-N-[3-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]propyl]benzamide
PubChem CID159897824
Molecular FormulaC128H120Cl12FIN28O9
Molecular Weight2765.89 g/mol
Exact Mass2758.51
IUPAC NameN-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]propyl]-2,6-dichlorobenzamide;N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]propyl]-2-fluoro-6-iodobenzamide;N-[3-[[4-(4-aminophenyl)pyrimidin-2-yl]amino]propyl]-2,6-dichlorobenzamide;2,6-dichloro-N-[3-[[4-(2,4-dichlorophenyl)pyrimidin-2-yl]amino]propyl]benzamide;2,6-dichloro-N-[3-[[4-(2,3-dihydro-1-benzofuran-6-yl)pyrimidin-2-yl]amino]propyl]benzamide;2,6-dichloro-N-[3-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]propyl]benzamide
SMILESCC(=O)Nc1ccc(-c2ccnc(NCCCNC(=O)c3c(Cl)cccc3Cl)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(NCCCNC(=O)c3c(F)cccc3I)n2)cc1.CN(C)c1ccc(-c2ccnc(NCCCNC(=O)c3c(Cl)cccc3Cl)n2)cc1.Nc1ccc(-c2ccnc(NCCCNC(=O)c3c(Cl)cccc3Cl)n2)cc1.O=C(NCCCNc1nccc(-c2ccc(Cl)cc2Cl)n1)c1c(Cl)cccc1Cl.O=C(NCCCNc1nccc(-c2ccc3c(c2)OCC3)n1)c1c(Cl)cccc1Cl
InChIInChI=1S/C22H21Cl2N5O2.C22H23Cl2N5O.C22H20Cl2N4O2.C22H21FIN5O2.C20H16Cl4N4O.C20H19Cl2N5O/c1-14(30)28-16-8-6-15(7-9-16)19-10-13-27-22(29-19)26-12-3-11-25-21(31)20-17(23)4-2-5-18(20)24;1-29(2)16-9-7-15(8-10-16)19-11-14-27-22(28-19)26-13-4-12-25-21(30)20-17(23)5-3-6-18(20)24;23-16-3-1-4-17(24)20(16)21(29)25-9-2-10-26-22-27-11-7-18(28-22)15-6-5-14-8-12-30-19(14)13-15;1-14(30)28-16-8-6-15(7-9-16)19-10-13-27-22(29-19)26-12-3-11-25-21(31)20-17(23)4-2-5-18(20)24;21-12-5-6-13(16(24)11-12)17-7-10-27-20(28-17)26-9-2-8-25-19(29)18-14(22)3-1-4-15(18)23;21-15-3-1-4-16(22)18(15)19(28)24-10-2-11-25-20-26-12-9-17(27-20)13-5-7-14(23)8-6-13/h2,4-10,13H,3,11-12H2,1H3,(H,25,31)(H,28,30)(H,26,27,29);3,5-11,14H,4,12-13H2,1-2H3,(H,25,30)(H,26,27,28);1,3-7,11,13H,2,8-10,12H2,(H,25,29)(H,26,27,28);2,4-10,13H,3,11-12H2,1H3,(H,25,31)(H,28,30)(H,26,27,29);1,3-7,10-11H,2,8-9H2,(H,25,29)(H,26,27,28);1,3-9,12H,2,10-11,23H2,(H,24,28)(H,25,26,27)
InChIKeyNVOLSJWHZCPTKG-UHFFFAOYSA-N
XLogP28.34
TPSA498.15 Ų
H-Bond Donors15
H-Bond Acceptors29
Rotatable Bonds45
Heavy Atoms179
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002765.89
LogP ≤ 528.34
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]propyl]-2,6-dichlorobenzamide;N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]propyl]-2-fluoro-6-iodobenzamide;N-[3-[[4-(4-aminophenyl)pyrimidin-2-yl]amino]propyl]-2,6-dichlorobenzamide;2,6-dichloro-N-[3-[[4-(2,4-dichlorophenyl)pyrimidin-2-yl]amino]propyl]benzamide;2,6-dichloro-N-[3-[[4-(2,3-dihydro-1-benzofuran-6-yl)pyrimidin-2-yl]amino]propyl]benzamide;2,6-dichloro-N-[3-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]propyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]propyl]-2,6-dichlorobenzamide;N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]propyl]-2-fluoro-6-iodobenzamide;N-[3-[[4-(4-aminophenyl)pyrimidin-2-yl]amino]propyl]-2,6-dichlorobenzamide;2,6-dichloro-N-[3-[[4-(2,4-dichlorophenyl)pyrimidin-2-yl]amino]propyl]benzamide;2,6-dichloro-N-[3-[[4-(2,3-dihydro-1-benzofuran-6-yl)pyrimidin-2-yl]amino]propyl]benzamide;2,6-dichloro-N-[3-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]propyl]benzamide?
The IUPAC name of N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]propyl]-2,6-dichlorobenzamide;N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]propyl]-2-fluoro-6-iodobenzamide;N-[3-[[4-(4-aminophenyl)pyrimidin-2-yl]amino]propyl]-2,6-dichlorobenzamide;2,6-dichloro-N-[3-[[4-(2,4-dichlorophenyl)pyrimidin-2-yl]amino]propyl]benzamide;2,6-dichloro-N-[3-[[4-(2,3-dihydro-1-benzofuran-6-yl)pyrimidin-2-yl]amino]propyl]benzamide;2,6-dichloro-N-[3-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]propyl]benzamide (CID 159897824) is N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]propyl]-2,6-dichlorobenzamide;N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]propyl]-2-fluoro-6-iodobenzamide;N-[3-[[4-(4-aminophenyl)pyrimidin-2-yl]amino]propyl]-2,6-dichlorobenzamide;2,6-dichloro-N-[3-[[4-(2,4-dichlorophenyl)pyrimidin-2-yl]amino]propyl]benzamide;2,6-dichloro-N-[3-[[4-(2,3-dihydro-1-benzofuran-6-yl)pyrimidin-2-yl]amino]propyl]benzamide;2,6-dichloro-N-[3-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]propyl]benzamide.
What is the SMILES notation for N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]propyl]-2,6-dichlorobenzamide;N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]propyl]-2-fluoro-6-iodobenzamide;N-[3-[[4-(4-aminophenyl)pyrimidin-2-yl]amino]propyl]-2,6-dichlorobenzamide;2,6-dichloro-N-[3-[[4-(2,4-dichlorophenyl)pyrimidin-2-yl]amino]propyl]benzamide;2,6-dichloro-N-[3-[[4-(2,3-dihydro-1-benzofuran-6-yl)pyrimidin-2-yl]amino]propyl]benzamide;2,6-dichloro-N-[3-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]propyl]benzamide?
The canonical SMILES for N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]propyl]-2,6-dichlorobenzamide;N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]propyl]-2-fluoro-6-iodobenzamide;N-[3-[[4-(4-aminophenyl)pyrimidin-2-yl]amino]propyl]-2,6-dichlorobenzamide;2,6-dichloro-N-[3-[[4-(2,4-dichlorophenyl)pyrimidin-2-yl]amino]propyl]benzamide;2,6-dichloro-N-[3-[[4-(2,3-dihydro-1-benzofuran-6-yl)pyrimidin-2-yl]amino]propyl]benzamide;2,6-dichloro-N-[3-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]propyl]benzamide is CC(=O)Nc1ccc(-c2ccnc(NCCCNC(=O)c3c(Cl)cccc3Cl)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(NCCCNC(=O)c3c(F)cccc3I)n2)cc1.CN(C)c1ccc(-c2ccnc(NCCCNC(=O)c3c(Cl)cccc3Cl)n2)cc1.Nc1ccc(-c2ccnc(NCCCNC(=O)c3c(Cl)cccc3Cl)n2)cc1.O=C(NCCCNc1nccc(-c2ccc(Cl)cc2Cl)n1)c1c(Cl)cccc1Cl.O=C(NCCCNc1nccc(-c2ccc3c(c2)OCC3)n1)c1c(Cl)cccc1Cl.
What is the InChIKey of N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]propyl]-2,6-dichlorobenzamide;N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]propyl]-2-fluoro-6-iodobenzamide;N-[3-[[4-(4-aminophenyl)pyrimidin-2-yl]amino]propyl]-2,6-dichlorobenzamide;2,6-dichloro-N-[3-[[4-(2,4-dichlorophenyl)pyrimidin-2-yl]amino]propyl]benzamide;2,6-dichloro-N-[3-[[4-(2,3-dihydro-1-benzofuran-6-yl)pyrimidin-2-yl]amino]propyl]benzamide;2,6-dichloro-N-[3-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]propyl]benzamide?
The InChIKey is NVOLSJWHZCPTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2N5O2.C22H23Cl2N5O.C22H20Cl2N4O2.C22H21FIN5O2.C20H16Cl4N4O.C20H19Cl2N5O/c1-14(30)28-16-8-6-15(7-9-16)19-10-13-27-22(29-19)26-12-3-11-25-21(31)20-17(23)4-2-5-18(20)24;1-29(2)16-9-7-15(8-10-16)19-11-14-27-22(28-19)26-13-4-12-25-21(30)20-17(23)5-3-6-18(20)24;23-16-3-1-4-17(24)20(16)21(29)25-9-2-10-26-22-27-11-7-18(28-22)15-6-5-14-8-12-30-19(14)13-15;1-14(30)28-16-8-6-15(7-9-16)19-10-13-27-22(29-19)26-12-3-11-25-21(31)20-17(23)4-2-5-18(20)24;21-12-5-6-13(16(24)11-12)17-7-10-27-20(28-17)26-9-2-8-25-19(29)18-14(22)3-1-4-15(18)23;21-15-3-1-4-16(22)18(15)19(28)24-10-2-11-25-20-26-12-9-17(27-20)13-5-7-14(23)8-6-13/h2,4-10,13H,3,11-12H2,1H3,(H,25,31)(H,28,30)(H,26,27,29);3,5-11,14H,4,12-13H2,1-2H3,(H,25,30)(H,26,27,28);1,3-7,11,13H,2,8-10,12H2,(H,25,29)(H,26,27,28);2,4-10,13H,3,11-12H2,1H3,(H,25,31)(H,28,30)(H,26,27,29);1,3-7,10-11H,2,8-9H2,(H,25,29)(H,26,27,28);1,3-9,12H,2,10-11,23H2,(H,24,28)(H,25,26,27).
What are the key properties of N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]propyl]-2,6-dichlorobenzamide;N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]propyl]-2-fluoro-6-iodobenzamide;N-[3-[[4-(4-aminophenyl)pyrimidin-2-yl]amino]propyl]-2,6-dichlorobenzamide;2,6-dichloro-N-[3-[[4-(2,4-dichlorophenyl)pyrimidin-2-yl]amino]propyl]benzamide;2,6-dichloro-N-[3-[[4-(2,3-dihydro-1-benzofuran-6-yl)pyrimidin-2-yl]amino]propyl]benzamide;2,6-dichloro-N-[3-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]propyl]benzamide?
N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]propyl]-2,6-dichlorobenzamide;N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]propyl]-2-fluoro-6-iodobenzamide;N-[3-[[4-(4-aminophenyl)pyrimidin-2-yl]amino]propyl]-2,6-dichlorobenzamide;2,6-dichloro-N-[3-[[4-(2,4-dichlorophenyl)pyrimidin-2-yl]amino]propyl]benzamide;2,6-dichloro-N-[3-[[4-(2,3-dihydro-1-benzofuran-6-yl)pyrimidin-2-yl]amino]propyl]benzamide;2,6-dichloro-N-[3-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]propyl]benzamide has a molecular weight of 2765.89 g/mol, XLogP of 28.34, 45 rotatable bonds, 15 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]propyl]-2,6-dichlorobenzamide;N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]propyl]-2-fluoro-6-iodobenzamide;N-[3-[[4-(4-aminophenyl)pyrimidin-2-yl]amino]propyl]-2,6-dichlorobenzamide;2,6-dichloro-N-[3-[[4-(2,4-dichlorophenyl)pyrimidin-2-yl]amino]propyl]benzamide;2,6-dichloro-N-[3-[[4-(2,3-dihydro-1-benzofuran-6-yl)pyrimidin-2-yl]amino]propyl]benzamide;2,6-dichloro-N-[3-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]propyl]benzamide is sourced from PubChem (CID 159897824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).