2-(2-chlorophenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;2-(4-chlorophenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;2-(2-methoxyphenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;2-(3-methoxyphenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-2-pyridin-2-ylacetamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-2-[4-(trifluoromethoxy)phenyl]acetamide

C170H162Cl2F3N31O15 — CID 158424301

About 2-(2-chlorophenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;2-(4-chlorophenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;2-(2-methoxyphenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;2-(3-methoxyphenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-2-pyridin-2-ylacetamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-2-[4-(trifluoromethoxy)phenyl]acetamide

2-(2-chlorophenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;2-(4-chlorophenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;2-(2-methoxyphenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;2-(3-methoxyphenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-2-pyridin-2-ylacetamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-2-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 158424301) has the molecular formula C170H162Cl2F3N31O15 and a molecular weight of 3007.27 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;2-(4-chlorophenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;2-(2-methoxyphenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;2-(3-methoxyphenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-2-pyridin-2-ylacetamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-2-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-(2-chlorophenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;2-(4-chlorophenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;2-(2-methoxyphenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;2-(3-methoxyphenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-2-pyridin-2-ylacetamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
• PubChem CID: 158424301
• Molecular Formula: C170H162Cl2F3N31O15
• Molecular Weight: 3007.27 g/mol
• Exact Mass: 3004.22
• IUPAC Name: 2-(2-chlorophenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;2-(4-chlorophenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;2-(2-methoxyphenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;2-(3-methoxyphenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-2-pyridin-2-ylacetamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
• SMILES: COc1cccc(CC(=O)Nc2ccc(-c3ccnc(Nc4ccc(N5CCOCC5)cc4)n3)cc2)c1.COc1ccccc1CC(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1.O=C(Cc1ccc(Cl)cc1)Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1.O=C(Cc1ccc(OC(F)(F)F)cc1)Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1.O=C(Cc1ccccc1Cl)Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1.O=C(Cc1ccccn1)Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1
• InChI: InChI=1S/C29H26F3N5O3.2C29H29N5O3.2C28H26ClN5O2.C27H26N6O2/c30-29(31,32)40-25-11-1-20(2-12-25)19-27(38)34-22-5-3-21(4-6-22)26-13-14-33-28(36-26)35-23-7-9-24(10-8-23)37-15-17-39-18-16-37;1-36-26-4-2-3-21(19-26)20-28(35)31-23-7-5-22(6-8-23)27-13-14-30-29(33-27)32-24-9-11-25(12-10-24)34-15-17-37-18-16-34;1-36-27-5-3-2-4-22(27)20-28(35)31-23-8-6-21(7-9-23)26-14-15-30-29(33-26)32-24-10-12-25(13-11-24)34-16-18-37-19-17-34;29-22-5-1-20(2-6-22)19-27(35)31-23-7-3-21(4-8-23)26-13-14-30-28(33-26)32-24-9-11-25(12-10-24)34-15-17-36-18-16-34;29-25-4-2-1-3-21(25)19-27(35)31-22-7-5-20(6-8-22)26-13-14-30-28(33-26)32-23-9-11-24(12-10-23)34-15-17-36-18-16-34;34-26(19-23-3-1-2-13-28-23)30-21-6-4-20(5-7-21)25-12-14-29-27(32-25)31-22-8-10-24(11-9-22)33-15-17-35-18-16-33/h1-14H,15-19H2,(H,34,38)(H,33,35,36);2-14,19H,15-18,20H2,1H3,(H,31,35)(H,30,32,33);2-15H,16-20H2,1H3,(H,31,35)(H,30,32,33);2*1-14H,15-19H2,(H,31,35)(H,30,32,33);1-14H,15-19H2,(H,30,34)(H,29,31,32)
• InChIKey: HAWAMKIKLQFYFL-UHFFFAOYSA-N
• XLogP: 31.05
• TPSA: 516.86 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 40
• Rotatable Bonds: 45
• Heavy Atoms: 221
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3007.27
LogP ≤ 5	31.05
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;2-(4-chlorophenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;2-(2-methoxyphenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;2-(3-methoxyphenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-2-pyridin-2-ylacetamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-2-[4-(trifluoromethoxy)phenyl]acetamide?

The IUPAC name of 2-(2-chlorophenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;2-(4-chlorophenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;2-(2-methoxyphenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;2-(3-methoxyphenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-2-pyridin-2-ylacetamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-2-[4-(trifluoromethoxy)phenyl]acetamide (CID 158424301) is 2-(2-chlorophenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;2-(4-chlorophenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;2-(2-methoxyphenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;2-(3-methoxyphenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-2-pyridin-2-ylacetamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-2-[4-(trifluoromethoxy)phenyl]acetamide.

What is the SMILES notation for 2-(2-chlorophenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;2-(4-chlorophenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;2-(2-methoxyphenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;2-(3-methoxyphenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-2-pyridin-2-ylacetamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-2-[4-(trifluoromethoxy)phenyl]acetamide?

The canonical SMILES for 2-(2-chlorophenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;2-(4-chlorophenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;2-(2-methoxyphenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;2-(3-methoxyphenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-2-pyridin-2-ylacetamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-2-[4-(trifluoromethoxy)phenyl]acetamide is COc1cccc(CC(=O)Nc2ccc(-c3ccnc(Nc4ccc(N5CCOCC5)cc4)n3)cc2)c1.COc1ccccc1CC(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1.O=C(Cc1ccc(Cl)cc1)Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1.O=C(Cc1ccc(OC(F)(F)F)cc1)Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1.O=C(Cc1ccccc1Cl)Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1.O=C(Cc1ccccn1)Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1.

What is the InChIKey of 2-(2-chlorophenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;2-(4-chlorophenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;2-(2-methoxyphenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;2-(3-methoxyphenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-2-pyridin-2-ylacetamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-2-[4-(trifluoromethoxy)phenyl]acetamide?

The InChIKey is HAWAMKIKLQFYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F3N5O3.2C29H29N5O3.2C28H26ClN5O2.C27H26N6O2/c30-29(31,32)40-25-11-1-20(2-12-25)19-27(38)34-22-5-3-21(4-6-22)26-13-14-33-28(36-26)35-23-7-9-24(10-8-23)37-15-17-39-18-16-37;1-36-26-4-2-3-21(19-26)20-28(35)31-23-7-5-22(6-8-23)27-13-14-30-29(33-27)32-24-9-11-25(12-10-24)34-15-17-37-18-16-34;1-36-27-5-3-2-4-22(27)20-28(35)31-23-8-6-21(7-9-23)26-14-15-30-29(33-26)32-24-10-12-25(13-11-24)34-16-18-37-19-17-34;29-22-5-1-20(2-6-22)19-27(35)31-23-7-3-21(4-8-23)26-13-14-30-28(33-26)32-24-9-11-25(12-10-24)34-15-17-36-18-16-34;29-25-4-2-1-3-21(25)19-27(35)31-22-7-5-20(6-8-22)26-13-14-30-28(33-26)32-23-9-11-24(12-10-23)34-15-17-36-18-16-34;34-26(19-23-3-1-2-13-28-23)30-21-6-4-20(5-7-21)25-12-14-29-27(32-25)31-22-8-10-24(11-9-22)33-15-17-35-18-16-33/h1-14H,15-19H2,(H,34,38)(H,33,35,36);2-14,19H,15-18,20H2,1H3,(H,31,35)(H,30,32,33);2-15H,16-20H2,1H3,(H,31,35)(H,30,32,33);2*1-14H,15-19H2,(H,31,35)(H,30,32,33);1-14H,15-19H2,(H,30,34)(H,29,31,32).

What are the key properties of 2-(2-chlorophenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;2-(4-chlorophenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;2-(2-methoxyphenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;2-(3-methoxyphenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-2-pyridin-2-ylacetamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-2-[4-(trifluoromethoxy)phenyl]acetamide?

2-(2-chlorophenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;2-(4-chlorophenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;2-(2-methoxyphenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;2-(3-methoxyphenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-2-pyridin-2-ylacetamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-2-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 3007.27 g/mol, XLogP of 31.05, 45 rotatable bonds, 12 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-chlorophenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;2-(4-chlorophenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;2-(2-methoxyphenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;2-(3-methoxyphenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-2-pyridin-2-ylacetamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-2-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 158424301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).