5-benzamido-2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]benzamide;2-chloro-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2,4,6-trifluoro-N-[4-methyl-3-[[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]carbamoyl]phenyl]benzamide

C125H120ClF9N24O12 — CID 160861282

About 5-benzamido-2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]benzamide;2-chloro-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2,4,6-trifluoro-N-[4-methyl-3-[[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]carbamoyl]phenyl]benzamide

5-benzamido-2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]benzamide;2-chloro-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2,4,6-trifluoro-N-[4-methyl-3-[[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]carbamoyl]phenyl]benzamide (PubChem CID 160861282) has the molecular formula C125H120ClF9N24O12 and a molecular weight of 2356.93 g/mol. Its IUPAC name is 5-benzamido-2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]benzamide;2-chloro-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2,4,6-trifluoro-N-[4-methyl-3-[[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]carbamoyl]phenyl]benzamide.

Molecular Properties

• Compound Name: 5-benzamido-2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]benzamide;2-chloro-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2,4,6-trifluoro-N-[4-methyl-3-[[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]carbamoyl]phenyl]benzamide
• PubChem CID: 160861282
• Molecular Formula: C125H120ClF9N24O12
• Molecular Weight: 2356.93 g/mol
• Exact Mass: 2354.91
• IUPAC Name: 5-benzamido-2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]benzamide;2-chloro-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2,4,6-trifluoro-N-[4-methyl-3-[[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]carbamoyl]phenyl]benzamide
• SMILES: Cc1ccc(NC(=O)c2c(F)cc(F)cc2F)cc1C(=O)Nc1cnc(Nc2cccc(OCCN3CCCC3)c2)nc1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C(=O)Nc1cnc(Nc2cccc(OCCN3CCCC3)c2)nc1.Cc1ccc(NC(=O)c2ccccc2)cc1C(=O)Nc1cnc(Nc2cccc(OCCN3CCCC3)c2)nc1.O=C(Nc1ccc(Cl)c(C(=O)Nc2cnc(Nc3cccc(OCCN4CCCC4)c3)nc2)c1)c1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C32H31F3N6O3.C31H28ClF3N6O3.C31H29F3N6O3.C31H32N6O3/c1-21-10-11-25(38-29(42)22-6-4-7-23(16-22)32(33,34)35)18-28(21)30(43)39-26-19-36-31(37-20-26)40-24-8-5-9-27(17-24)44-15-14-41-12-2-3-13-41;32-27-10-9-23(38-28(42)20-5-3-6-21(15-20)31(33,34)35)17-26(27)29(43)39-24-18-36-30(37-19-24)40-22-7-4-8-25(16-22)44-14-13-41-11-1-2-12-41;1-19-7-8-22(37-30(42)28-26(33)13-20(32)14-27(28)34)16-25(19)29(41)38-23-17-35-31(36-18-23)39-21-5-4-6-24(15-21)43-12-11-40-9-2-3-10-40;1-22-12-13-25(34-29(38)23-8-3-2-4-9-23)19-28(22)30(39)35-26-20-32-31(33-21-26)36-24-10-7-11-27(18-24)40-17-16-37-14-5-6-15-37/h4-11,16-20H,2-3,12-15H2,1H3,(H,38,42)(H,39,43)(H,36,37,40);3-10,15-19H,1-2,11-14H2,(H,38,42)(H,39,43)(H,36,37,40);4-8,13-18H,2-3,9-12H2,1H3,(H,37,42)(H,38,41)(H,35,36,39);2-4,7-13,18-21H,5-6,14-17H2,1H3,(H,34,38)(H,35,39)(H,32,33,36)
• InChIKey: SKNDZKXCDMSTOG-UHFFFAOYSA-N
• XLogP: 24.83
• TPSA: 433.92 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 28
• Rotatable Bonds: 40
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2356.93
LogP ≤ 5	24.83
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 5-benzamido-2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]benzamide;2-chloro-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2,4,6-trifluoro-N-[4-methyl-3-[[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]carbamoyl]phenyl]benzamide?

The IUPAC name of 5-benzamido-2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]benzamide;2-chloro-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2,4,6-trifluoro-N-[4-methyl-3-[[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]carbamoyl]phenyl]benzamide (CID 160861282) is 5-benzamido-2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]benzamide;2-chloro-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2,4,6-trifluoro-N-[4-methyl-3-[[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]carbamoyl]phenyl]benzamide.

What is the SMILES notation for 5-benzamido-2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]benzamide;2-chloro-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2,4,6-trifluoro-N-[4-methyl-3-[[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]carbamoyl]phenyl]benzamide?

The canonical SMILES for 5-benzamido-2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]benzamide;2-chloro-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2,4,6-trifluoro-N-[4-methyl-3-[[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]carbamoyl]phenyl]benzamide is Cc1ccc(NC(=O)c2c(F)cc(F)cc2F)cc1C(=O)Nc1cnc(Nc2cccc(OCCN3CCCC3)c2)nc1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C(=O)Nc1cnc(Nc2cccc(OCCN3CCCC3)c2)nc1.Cc1ccc(NC(=O)c2ccccc2)cc1C(=O)Nc1cnc(Nc2cccc(OCCN3CCCC3)c2)nc1.O=C(Nc1ccc(Cl)c(C(=O)Nc2cnc(Nc3cccc(OCCN4CCCC4)c3)nc2)c1)c1cccc(C(F)(F)F)c1.

What is the InChIKey of 5-benzamido-2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]benzamide;2-chloro-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2,4,6-trifluoro-N-[4-methyl-3-[[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]carbamoyl]phenyl]benzamide?

The InChIKey is SKNDZKXCDMSTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31F3N6O3.C31H28ClF3N6O3.C31H29F3N6O3.C31H32N6O3/c1-21-10-11-25(38-29(42)22-6-4-7-23(16-22)32(33,34)35)18-28(21)30(43)39-26-19-36-31(37-20-26)40-24-8-5-9-27(17-24)44-15-14-41-12-2-3-13-41;32-27-10-9-23(38-28(42)20-5-3-6-21(15-20)31(33,34)35)17-26(27)29(43)39-24-18-36-30(37-19-24)40-22-7-4-8-25(16-22)44-14-13-41-11-1-2-12-41;1-19-7-8-22(37-30(42)28-26(33)13-20(32)14-27(28)34)16-25(19)29(41)38-23-17-35-31(36-18-23)39-21-5-4-6-24(15-21)43-12-11-40-9-2-3-10-40;1-22-12-13-25(34-29(38)23-8-3-2-4-9-23)19-28(22)30(39)35-26-20-32-31(33-21-26)36-24-10-7-11-27(18-24)40-17-16-37-14-5-6-15-37/h4-11,16-20H,2-3,12-15H2,1H3,(H,38,42)(H,39,43)(H,36,37,40);3-10,15-19H,1-2,11-14H2,(H,38,42)(H,39,43)(H,36,37,40);4-8,13-18H,2-3,9-12H2,1H3,(H,37,42)(H,38,41)(H,35,36,39);2-4,7-13,18-21H,5-6,14-17H2,1H3,(H,34,38)(H,35,39)(H,32,33,36).

What are the key properties of 5-benzamido-2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]benzamide;2-chloro-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2,4,6-trifluoro-N-[4-methyl-3-[[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]carbamoyl]phenyl]benzamide?

5-benzamido-2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]benzamide;2-chloro-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2,4,6-trifluoro-N-[4-methyl-3-[[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]carbamoyl]phenyl]benzamide has a molecular weight of 2356.93 g/mol, XLogP of 24.83, 40 rotatable bonds, 12 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 5-benzamido-2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]benzamide;2-chloro-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2,4,6-trifluoro-N-[4-methyl-3-[[2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]carbamoyl]phenyl]benzamide is sourced from PubChem (CID 160861282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).