3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(2,4-difluorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-ethyl-N-methylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide;N-[4-[2-[3-(4-acetylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide

C154H136F11N31O14 — CID 157241863

IUPAC3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(2,4-difluorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-ethyl-N-methylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide;N-[4-[2-[3-(4-acetylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)N4CCN(C(C)=O)CC4)c3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)NCc4ccc(C(F)(F)F)cc4)c3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)NCc4ccc(F)cc4F)c3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)NCc4ccc(OC(F)(F)F)cc4)c3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)NCc4cccc(C(F)(F)F)c4)c3)n2)cc1.CCN(C)C(=O)c1cccc(Nc2nccc(-c3ccc(NC(C)=O)cc3)n2)c1
InChIInChI=1S/C27H22F3N5O3.2C27H22F3N5O2.C26H21F2N5O2.C25H26N6O3.C22H23N5O2/c1-17(36)33-21-9-7-19(8-10-21)24-13-14-31-26(35-24)34-22-4-2-3-20(15-22)25(37)32-16-18-5-11-23(12-6-18)38-27(28,29)30;1-17(36)33-22-10-8-19(9-11-22)24-12-13-31-26(35-24)34-23-7-3-5-20(15-23)25(37)32-16-18-4-2-6-21(14-18)27(28,29)30;1-17(36)33-22-11-7-19(8-12-22)24-13-14-31-26(35-24)34-23-4-2-3-20(15-23)25(37)32-16-18-5-9-21(10-6-18)27(28,29)30;1-16(34)31-21-9-6-17(7-10-21)24-11-12-29-26(33-24)32-22-4-2-3-18(13-22)25(35)30-15-19-5-8-20(27)14-23(19)28;1-17(32)27-21-8-6-19(7-9-21)23-10-11-26-25(29-23)28-22-5-3-4-20(16-22)24(34)31-14-12-30(13-15-31)18(2)33;1-4-27(3)21(29)17-6-5-7-19(14-17)25-22-23-13-12-20(26-22)16-8-10-18(11-9-16)24-15(2)28/h2-15H,16H2,1H3,(H,32,37)(H,33,36)(H,31,34,35);2*2-15H,16H2,1H3,(H,32,37)(H,33,36)(H,31,34,35);2-14H,15H2,1H3,(H,30,35)(H,31,34)(H,29,32,33);3-11,16H,12-15H2,1-2H3,(H,27,32)(H,26,28,29);5-14H,4H2,1-3H3,(H,24,28)(H,23,25,26)
InChIKeyAVHRJLHEHUQVFA-UHFFFAOYSA-N
MW2853.96 g/mol
LogP29.40
Rot. Bonds40

About 3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(2,4-difluorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-ethyl-N-methylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide;N-[4-[2-[3-(4-acetylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide

3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(2,4-difluorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-ethyl-N-methylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide;N-[4-[2-[3-(4-acetylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide (PubChem CID 157241863) has the molecular formula C154H136F11N31O14 and a molecular weight of 2853.96 g/mol. Its IUPAC name is 3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(2,4-difluorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-ethyl-N-methylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide;N-[4-[2-[3-(4-acetylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide.

Molecular Properties

Compound Name3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(2,4-difluorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-ethyl-N-methylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide;N-[4-[2-[3-(4-acetylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide
PubChem CID157241863
Molecular FormulaC154H136F11N31O14
Molecular Weight2853.96 g/mol
Exact Mass2852.07
IUPAC Name3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(2,4-difluorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-ethyl-N-methylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide;N-[4-[2-[3-(4-acetylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)N4CCN(C(C)=O)CC4)c3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)NCc4ccc(C(F)(F)F)cc4)c3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)NCc4ccc(F)cc4F)c3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)NCc4ccc(OC(F)(F)F)cc4)c3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)NCc4cccc(C(F)(F)F)c4)c3)n2)cc1.CCN(C)C(=O)c1cccc(Nc2nccc(-c3ccc(NC(C)=O)cc3)n2)c1
InChIInChI=1S/C27H22F3N5O3.2C27H22F3N5O2.C26H21F2N5O2.C25H26N6O3.C22H23N5O2/c1-17(36)33-21-9-7-19(8-10-21)24-13-14-31-26(35-24)34-22-4-2-3-20(15-22)25(37)32-16-18-5-11-23(12-6-18)38-27(28,29)30;1-17(36)33-22-10-8-19(9-11-22)24-12-13-31-26(35-24)34-23-7-3-5-20(15-23)25(37)32-16-18-4-2-6-21(14-18)27(28,29)30;1-17(36)33-22-11-7-19(8-12-22)24-13-14-31-26(35-24)34-23-4-2-3-20(15-23)25(37)32-16-18-5-9-21(10-6-18)27(28,29)30;1-16(34)31-21-9-6-17(7-10-21)24-11-12-29-26(33-24)32-22-4-2-3-18(13-22)25(35)30-15-19-5-8-20(27)14-23(19)28;1-17(32)27-21-8-6-19(7-9-21)23-10-11-26-25(29-23)28-22-5-3-4-20(16-22)24(34)31-14-12-30(13-15-31)18(2)33;1-4-27(3)21(29)17-6-5-7-19(14-17)25-22-23-13-12-20(26-22)16-8-10-18(11-9-16)24-15(2)28/h2-15H,16H2,1H3,(H,32,37)(H,33,36)(H,31,34,35);2*2-15H,16H2,1H3,(H,32,37)(H,33,36)(H,31,34,35);2-14H,15H2,1H3,(H,30,35)(H,31,34)(H,29,32,33);3-11,16H,12-15H2,1-2H3,(H,27,32)(H,26,28,29);5-14H,4H2,1-3H3,(H,24,28)(H,23,25,26)
InChIKeyAVHRJLHEHUQVFA-UHFFFAOYSA-N
XLogP29.40
TPSA588.02 Ų
H-Bond Donors16
H-Bond Acceptors32
Rotatable Bonds40
Heavy Atoms210
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002853.96
LogP ≤ 529.40
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1032

Analyze 3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(2,4-difluorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-ethyl-N-methylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide;N-[4-[2-[3-(4-acetylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(2,4-difluorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-ethyl-N-methylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide;N-[4-[2-[3-(4-acetylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide?
The IUPAC name of 3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(2,4-difluorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-ethyl-N-methylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide;N-[4-[2-[3-(4-acetylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide (CID 157241863) is 3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(2,4-difluorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-ethyl-N-methylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide;N-[4-[2-[3-(4-acetylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide.
What is the SMILES notation for 3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(2,4-difluorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-ethyl-N-methylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide;N-[4-[2-[3-(4-acetylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide?
The canonical SMILES for 3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(2,4-difluorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-ethyl-N-methylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide;N-[4-[2-[3-(4-acetylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)N4CCN(C(C)=O)CC4)c3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)NCc4ccc(C(F)(F)F)cc4)c3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)NCc4ccc(F)cc4F)c3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)NCc4ccc(OC(F)(F)F)cc4)c3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)NCc4cccc(C(F)(F)F)c4)c3)n2)cc1.CCN(C)C(=O)c1cccc(Nc2nccc(-c3ccc(NC(C)=O)cc3)n2)c1.
What is the InChIKey of 3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(2,4-difluorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-ethyl-N-methylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide;N-[4-[2-[3-(4-acetylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide?
The InChIKey is AVHRJLHEHUQVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F3N5O3.2C27H22F3N5O2.C26H21F2N5O2.C25H26N6O3.C22H23N5O2/c1-17(36)33-21-9-7-19(8-10-21)24-13-14-31-26(35-24)34-22-4-2-3-20(15-22)25(37)32-16-18-5-11-23(12-6-18)38-27(28,29)30;1-17(36)33-22-10-8-19(9-11-22)24-12-13-31-26(35-24)34-23-7-3-5-20(15-23)25(37)32-16-18-4-2-6-21(14-18)27(28,29)30;1-17(36)33-22-11-7-19(8-12-22)24-13-14-31-26(35-24)34-23-4-2-3-20(15-23)25(37)32-16-18-5-9-21(10-6-18)27(28,29)30;1-16(34)31-21-9-6-17(7-10-21)24-11-12-29-26(33-24)32-22-4-2-3-18(13-22)25(35)30-15-19-5-8-20(27)14-23(19)28;1-17(32)27-21-8-6-19(7-9-21)23-10-11-26-25(29-23)28-22-5-3-4-20(16-22)24(34)31-14-12-30(13-15-31)18(2)33;1-4-27(3)21(29)17-6-5-7-19(14-17)25-22-23-13-12-20(26-22)16-8-10-18(11-9-16)24-15(2)28/h2-15H,16H2,1H3,(H,32,37)(H,33,36)(H,31,34,35);2*2-15H,16H2,1H3,(H,32,37)(H,33,36)(H,31,34,35);2-14H,15H2,1H3,(H,30,35)(H,31,34)(H,29,32,33);3-11,16H,12-15H2,1-2H3,(H,27,32)(H,26,28,29);5-14H,4H2,1-3H3,(H,24,28)(H,23,25,26).
What are the key properties of 3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(2,4-difluorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-ethyl-N-methylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide;N-[4-[2-[3-(4-acetylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide?
3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(2,4-difluorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-ethyl-N-methylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide;N-[4-[2-[3-(4-acetylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide has a molecular weight of 2853.96 g/mol, XLogP of 29.40, 40 rotatable bonds, 16 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(2,4-difluorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-ethyl-N-methylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide;N-[4-[2-[3-(4-acetylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide is sourced from PubChem (CID 157241863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).