2-[4-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide;methane;N-[(3-methylphenyl)methyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;N-[(3-methylphenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]acetamide;1-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-phenylbutan-2-one

C109H126FN11O10 — CID 157336262

IUPAC2-[4-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide;methane;N-[(3-methylphenyl)methyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;N-[(3-methylphenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]acetamide;1-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-phenylbutan-2-one
SMILESC.Cc1cccc(CNC(=O)Cc2ccc(-c3ccc(N4CCOCC4)cc3)cn2)c1.Cc1cccc(CNC(=O)Cc2ccc(-c3ccc(OCCN4CCN(C)CC4)cc3F)cc2)c1.Cc1cccc(CNC(=O)Cc2ccc(-c3ccc(OCCN4CCOCC4)cc3)cn2)c1.O=C(CCc1ccccc1)Cc1ccc(-c2ccc(OCCN3CCOCC3)cc2)cn1
InChIInChI=1S/C29H34FN3O2.C27H31N3O3.C27H30N2O3.C25H27N3O2.CH4/c1-22-4-3-5-24(18-22)21-31-29(34)19-23-6-8-25(9-7-23)27-11-10-26(20-28(27)30)35-17-16-33-14-12-32(2)13-15-33;1-21-3-2-4-22(17-21)19-29-27(31)18-25-8-5-24(20-28-25)23-6-9-26(10-7-23)33-16-13-30-11-14-32-15-12-30;30-26(11-6-22-4-2-1-3-5-22)20-25-10-7-24(21-28-25)23-8-12-27(13-9-23)32-19-16-29-14-17-31-18-15-29;1-19-3-2-4-20(15-19)17-27-25(29)16-23-8-5-22(18-26-23)21-6-9-24(10-7-21)28-11-13-30-14-12-28;/h3-11,18,20H,12-17,19,21H2,1-2H3,(H,31,34);2-10,17,20H,11-16,18-19H2,1H3,(H,29,31);1-5,7-10,12-13,21H,6,11,14-20H2;2-10,15,18H,11-14,16-17H2,1H3,(H,27,29);1H4
InChIKeyBFWIVNXSQQUOSN-UHFFFAOYSA-N
MW1769.27 g/mol
LogP16.51
Rot. Bonds34

About 2-[4-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide;methane;N-[(3-methylphenyl)methyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;N-[(3-methylphenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]acetamide;1-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-phenylbutan-2-one

2-[4-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide;methane;N-[(3-methylphenyl)methyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;N-[(3-methylphenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]acetamide;1-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-phenylbutan-2-one (PubChem CID 157336262) has the molecular formula C109H126FN11O10 and a molecular weight of 1769.27 g/mol. Its IUPAC name is 2-[4-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide;methane;N-[(3-methylphenyl)methyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;N-[(3-methylphenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]acetamide;1-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-phenylbutan-2-one.

Molecular Properties

Compound Name2-[4-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide;methane;N-[(3-methylphenyl)methyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;N-[(3-methylphenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]acetamide;1-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-phenylbutan-2-one
PubChem CID157336262
Molecular FormulaC109H126FN11O10
Molecular Weight1769.27 g/mol
Exact Mass1767.97
IUPAC Name2-[4-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide;methane;N-[(3-methylphenyl)methyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;N-[(3-methylphenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]acetamide;1-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-phenylbutan-2-one
SMILESC.Cc1cccc(CNC(=O)Cc2ccc(-c3ccc(N4CCOCC4)cc3)cn2)c1.Cc1cccc(CNC(=O)Cc2ccc(-c3ccc(OCCN4CCN(C)CC4)cc3F)cc2)c1.Cc1cccc(CNC(=O)Cc2ccc(-c3ccc(OCCN4CCOCC4)cc3)cn2)c1.O=C(CCc1ccccc1)Cc1ccc(-c2ccc(OCCN3CCOCC3)cc2)cn1
InChIInChI=1S/C29H34FN3O2.C27H31N3O3.C27H30N2O3.C25H27N3O2.CH4/c1-22-4-3-5-24(18-22)21-31-29(34)19-23-6-8-25(9-7-23)27-11-10-26(20-28(27)30)35-17-16-33-14-12-32(2)13-15-33;1-21-3-2-4-22(17-21)19-29-27(31)18-25-8-5-24(20-28-25)23-6-9-26(10-7-23)33-16-13-30-11-14-32-15-12-30;30-26(11-6-22-4-2-1-3-5-22)20-25-10-7-24(21-28-25)23-8-12-27(13-9-23)32-19-16-29-14-17-31-18-15-29;1-19-3-2-4-20(15-19)17-27-25(29)16-23-8-5-22(18-26-23)21-6-9-24(10-7-21)28-11-13-30-14-12-28;/h3-11,18,20H,12-17,19,21H2,1-2H3,(H,31,34);2-10,17,20H,11-16,18-19H2,1H3,(H,29,31);1-5,7-10,12-13,21H,6,11,14-20H2;2-10,15,18H,11-14,16-17H2,1H3,(H,27,29);1H4
InChIKeyBFWIVNXSQQUOSN-UHFFFAOYSA-N
XLogP16.51
TPSA214.62 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds34
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001769.27
LogP ≤ 516.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Analyze 2-[4-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide;methane;N-[(3-methylphenyl)methyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;N-[(3-methylphenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]acetamide;1-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-phenylbutan-2-one with MolForge

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Related Compounds

2-[5-[4-[2-[4-(2-cyclopropylethanoyl)piperazin-1-yl]ethoxy]phenyl]pyridin-2-yl]-N-(phenylmethyl)ethanamide
CID 155925939
N-benzyl-2-[5-[4-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethoxy]phenyl]-2-pyridinyl]acetamide
CID 166635072
N-benzyl-2-[5-[4-[2-[4-[(1S,2S)-2-fluorocyclopropanecarbonyl]piperazin-1-yl]ethoxy]phenyl]-2-pyridinyl]acetamide
CID 166635524
N-[(3-fluorophenyl)methyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide
CID 11496101
N-benzyl-2-[5-[4-[2-[4-[(1R,2S)-2-fluorocyclopropanecarbonyl]piperazin-1-yl]ethoxy]phenyl]-2-pyridinyl]acetamide
CID 166627872
N-benzyl-2-[5-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide
CID 166628279
N-benzyl-2-[5-[4-[2-(4-tert-butylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide
CID 166628437
N-benzyl-2-[5-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide
CID 166629240
N-benzyl-2-[5-[4-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethoxy]phenyl]-2-pyridinyl]acetamide
CID 166629607
Tert-butyl 4-[2-[4-[6-[2-(benzylamino)-2-oxoethyl]-3-pyridinyl]phenoxy]ethyl]piperazine-1-carboxylate
CID 166633220
N-benzyl-2-[5-[4-[2-[4-(2,2-difluorocyclopropanecarbonyl)piperazin-1-yl]ethoxy]phenyl]-2-pyridinyl]acetamide
CID 166635812
2-[5-[4-[2-(4-acetylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-benzylacetamide
CID 166636078

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide;methane;N-[(3-methylphenyl)methyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;N-[(3-methylphenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]acetamide;1-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-phenylbutan-2-one?
The IUPAC name of 2-[4-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide;methane;N-[(3-methylphenyl)methyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;N-[(3-methylphenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]acetamide;1-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-phenylbutan-2-one (CID 157336262) is 2-[4-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide;methane;N-[(3-methylphenyl)methyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;N-[(3-methylphenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]acetamide;1-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-phenylbutan-2-one.
What is the SMILES notation for 2-[4-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide;methane;N-[(3-methylphenyl)methyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;N-[(3-methylphenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]acetamide;1-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-phenylbutan-2-one?
The canonical SMILES for 2-[4-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide;methane;N-[(3-methylphenyl)methyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;N-[(3-methylphenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]acetamide;1-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-phenylbutan-2-one is C.Cc1cccc(CNC(=O)Cc2ccc(-c3ccc(N4CCOCC4)cc3)cn2)c1.Cc1cccc(CNC(=O)Cc2ccc(-c3ccc(OCCN4CCN(C)CC4)cc3F)cc2)c1.Cc1cccc(CNC(=O)Cc2ccc(-c3ccc(OCCN4CCOCC4)cc3)cn2)c1.O=C(CCc1ccccc1)Cc1ccc(-c2ccc(OCCN3CCOCC3)cc2)cn1.
What is the InChIKey of 2-[4-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide;methane;N-[(3-methylphenyl)methyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;N-[(3-methylphenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]acetamide;1-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-phenylbutan-2-one?
The InChIKey is BFWIVNXSQQUOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34FN3O2.C27H31N3O3.C27H30N2O3.C25H27N3O2.CH4/c1-22-4-3-5-24(18-22)21-31-29(34)19-23-6-8-25(9-7-23)27-11-10-26(20-28(27)30)35-17-16-33-14-12-32(2)13-15-33;1-21-3-2-4-22(17-21)19-29-27(31)18-25-8-5-24(20-28-25)23-6-9-26(10-7-23)33-16-13-30-11-14-32-15-12-30;30-26(11-6-22-4-2-1-3-5-22)20-25-10-7-24(21-28-25)23-8-12-27(13-9-23)32-19-16-29-14-17-31-18-15-29;1-19-3-2-4-20(15-19)17-27-25(29)16-23-8-5-22(18-26-23)21-6-9-24(10-7-21)28-11-13-30-14-12-28;/h3-11,18,20H,12-17,19,21H2,1-2H3,(H,31,34);2-10,17,20H,11-16,18-19H2,1H3,(H,29,31);1-5,7-10,12-13,21H,6,11,14-20H2;2-10,15,18H,11-14,16-17H2,1H3,(H,27,29);1H4.
What are the key properties of 2-[4-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide;methane;N-[(3-methylphenyl)methyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;N-[(3-methylphenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]acetamide;1-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-phenylbutan-2-one?
2-[4-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide;methane;N-[(3-methylphenyl)methyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;N-[(3-methylphenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]acetamide;1-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-phenylbutan-2-one has a molecular weight of 1769.27 g/mol, XLogP of 16.51, 34 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide;methane;N-[(3-methylphenyl)methyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;N-[(3-methylphenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]acetamide;1-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-phenylbutan-2-one is sourced from PubChem (CID 157336262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).