N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]benzamide;N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-2-chloro-6-fluoro-3-methoxybenzamide;N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-3,5-difluorobenzamide;N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-2,4,5-trifluorobenzamide;N-[4-[6-morpholin-4-yl-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide

C127H109ClF6N26O12 — CID 157375421

IUPACN-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]benzamide;N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-2-chloro-6-fluoro-3-methoxybenzamide;N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-3,5-difluorobenzamide;N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-2,4,5-trifluorobenzamide;N-[4-[6-morpholin-4-yl-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cc(N3CCOCC3)nc(Nc3ccc(N4CCOCC4)cc3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(NC(=O)c4cc(F)c(F)cc4F)c3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(NC(=O)c4cc(F)cc(F)c4)c3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(NC(=O)c4ccccc4)c3)n2)cc1.COc1ccc(F)c(C(=O)Nc2cccc(Nc3nccc(-c4ccc(NC(C)=O)cc4)n3)c2)c1Cl
InChIInChI=1S/C26H21ClFN5O3.C26H30N6O3.C25H18F3N5O2.C25H19F2N5O2.C25H21N5O2/c1-15(34)30-17-8-6-16(7-9-17)21-12-13-29-26(33-21)32-19-5-3-4-18(14-19)31-25(35)23-20(28)10-11-22(36-2)24(23)27;1-19(33)27-21-4-2-20(3-5-21)24-18-25(32-12-16-35-17-13-32)30-26(29-24)28-22-6-8-23(9-7-22)31-10-14-34-15-11-31;1-14(34)30-16-7-5-15(6-8-16)23-9-10-29-25(33-23)32-18-4-2-3-17(11-18)31-24(35)19-12-21(27)22(28)13-20(19)26;1-15(33)29-20-7-5-16(6-8-20)23-9-10-28-25(32-23)31-22-4-2-3-21(14-22)30-24(34)17-11-18(26)13-19(27)12-17;1-17(31)27-20-12-10-18(11-13-20)23-14-15-26-25(30-23)29-22-9-5-8-21(16-22)28-24(32)19-6-3-2-4-7-19/h3-14H,1-2H3,(H,30,34)(H,31,35)(H,29,32,33);2-9,18H,10-17H2,1H3,(H,27,33)(H,28,29,30);2-13H,1H3,(H,30,34)(H,31,35)(H,29,32,33);2-14H,1H3,(H,29,33)(H,30,34)(H,28,31,32);2-16H,1H3,(H,27,31)(H,28,32)(H,26,29,30)
InChIKeyBKGRXFCGQSXMKA-UHFFFAOYSA-N
MW2340.88 g/mol
LogP25.41
Rot. Bonds31

About N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]benzamide;N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-2-chloro-6-fluoro-3-methoxybenzamide;N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-3,5-difluorobenzamide;N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-2,4,5-trifluorobenzamide;N-[4-[6-morpholin-4-yl-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide

N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]benzamide;N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-2-chloro-6-fluoro-3-methoxybenzamide;N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-3,5-difluorobenzamide;N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-2,4,5-trifluorobenzamide;N-[4-[6-morpholin-4-yl-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide (PubChem CID 157375421) has the molecular formula C127H109ClF6N26O12 and a molecular weight of 2340.88 g/mol. Its IUPAC name is N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]benzamide;N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-2-chloro-6-fluoro-3-methoxybenzamide;N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-3,5-difluorobenzamide;N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-2,4,5-trifluorobenzamide;N-[4-[6-morpholin-4-yl-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]benzamide;N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-2-chloro-6-fluoro-3-methoxybenzamide;N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-3,5-difluorobenzamide;N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-2,4,5-trifluorobenzamide;N-[4-[6-morpholin-4-yl-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide
PubChem CID157375421
Molecular FormulaC127H109ClF6N26O12
Molecular Weight2340.88 g/mol
Exact Mass2338.83
IUPAC NameN-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]benzamide;N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-2-chloro-6-fluoro-3-methoxybenzamide;N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-3,5-difluorobenzamide;N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-2,4,5-trifluorobenzamide;N-[4-[6-morpholin-4-yl-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cc(N3CCOCC3)nc(Nc3ccc(N4CCOCC4)cc3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(NC(=O)c4cc(F)c(F)cc4F)c3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(NC(=O)c4cc(F)cc(F)c4)c3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(NC(=O)c4ccccc4)c3)n2)cc1.COc1ccc(F)c(C(=O)Nc2cccc(Nc3nccc(-c4ccc(NC(C)=O)cc4)n3)c2)c1Cl
InChIInChI=1S/C26H21ClFN5O3.C26H30N6O3.C25H18F3N5O2.C25H19F2N5O2.C25H21N5O2/c1-15(34)30-17-8-6-16(7-9-17)21-12-13-29-26(33-21)32-19-5-3-4-18(14-19)31-25(35)23-20(28)10-11-22(36-2)24(23)27;1-19(33)27-21-4-2-20(3-5-21)24-18-25(32-12-16-35-17-13-32)30-26(29-24)28-22-6-8-23(9-7-22)31-10-14-34-15-11-31;1-14(34)30-16-7-5-15(6-8-16)23-9-10-29-25(33-23)32-18-4-2-3-17(11-18)31-24(35)19-12-21(27)22(28)13-20(19)26;1-15(33)29-20-7-5-16(6-8-20)23-9-10-28-25(32-23)31-22-4-2-3-21(14-22)30-24(34)17-11-18(26)13-19(27)12-17;1-17(31)27-20-12-10-18(11-13-20)23-14-15-26-25(30-23)29-22-9-5-8-21(16-22)28-24(32)19-6-3-2-4-7-19/h3-14H,1-2H3,(H,30,34)(H,31,35)(H,29,32,33);2-9,18H,10-17H2,1H3,(H,27,33)(H,28,29,30);2-13H,1H3,(H,30,34)(H,31,35)(H,29,32,33);2-14H,1H3,(H,29,33)(H,30,34)(H,28,31,32);2-16H,1H3,(H,27,31)(H,28,32)(H,26,29,30)
InChIKeyBKGRXFCGQSXMKA-UHFFFAOYSA-N
XLogP25.41
TPSA485.12 Ų
H-Bond Donors14
H-Bond Acceptors29
Rotatable Bonds31
Heavy Atoms172
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002340.88
LogP ≤ 525.41
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]benzamide;N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-2-chloro-6-fluoro-3-methoxybenzamide;N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-3,5-difluorobenzamide;N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-2,4,5-trifluorobenzamide;N-[4-[6-morpholin-4-yl-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]benzamide;N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-2-chloro-6-fluoro-3-methoxybenzamide;N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-3,5-difluorobenzamide;N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-2,4,5-trifluorobenzamide;N-[4-[6-morpholin-4-yl-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide?
The IUPAC name of N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]benzamide;N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-2-chloro-6-fluoro-3-methoxybenzamide;N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-3,5-difluorobenzamide;N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-2,4,5-trifluorobenzamide;N-[4-[6-morpholin-4-yl-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide (CID 157375421) is N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]benzamide;N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-2-chloro-6-fluoro-3-methoxybenzamide;N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-3,5-difluorobenzamide;N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-2,4,5-trifluorobenzamide;N-[4-[6-morpholin-4-yl-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]benzamide;N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-2-chloro-6-fluoro-3-methoxybenzamide;N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-3,5-difluorobenzamide;N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-2,4,5-trifluorobenzamide;N-[4-[6-morpholin-4-yl-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]benzamide;N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-2-chloro-6-fluoro-3-methoxybenzamide;N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-3,5-difluorobenzamide;N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-2,4,5-trifluorobenzamide;N-[4-[6-morpholin-4-yl-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2cc(N3CCOCC3)nc(Nc3ccc(N4CCOCC4)cc3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(NC(=O)c4cc(F)c(F)cc4F)c3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(NC(=O)c4cc(F)cc(F)c4)c3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(NC(=O)c4ccccc4)c3)n2)cc1.COc1ccc(F)c(C(=O)Nc2cccc(Nc3nccc(-c4ccc(NC(C)=O)cc4)n3)c2)c1Cl.
What is the InChIKey of N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]benzamide;N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-2-chloro-6-fluoro-3-methoxybenzamide;N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-3,5-difluorobenzamide;N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-2,4,5-trifluorobenzamide;N-[4-[6-morpholin-4-yl-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide?
The InChIKey is BKGRXFCGQSXMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClFN5O3.C26H30N6O3.C25H18F3N5O2.C25H19F2N5O2.C25H21N5O2/c1-15(34)30-17-8-6-16(7-9-17)21-12-13-29-26(33-21)32-19-5-3-4-18(14-19)31-25(35)23-20(28)10-11-22(36-2)24(23)27;1-19(33)27-21-4-2-20(3-5-21)24-18-25(32-12-16-35-17-13-32)30-26(29-24)28-22-6-8-23(9-7-22)31-10-14-34-15-11-31;1-14(34)30-16-7-5-15(6-8-16)23-9-10-29-25(33-23)32-18-4-2-3-17(11-18)31-24(35)19-12-21(27)22(28)13-20(19)26;1-15(33)29-20-7-5-16(6-8-20)23-9-10-28-25(32-23)31-22-4-2-3-21(14-22)30-24(34)17-11-18(26)13-19(27)12-17;1-17(31)27-20-12-10-18(11-13-20)23-14-15-26-25(30-23)29-22-9-5-8-21(16-22)28-24(32)19-6-3-2-4-7-19/h3-14H,1-2H3,(H,30,34)(H,31,35)(H,29,32,33);2-9,18H,10-17H2,1H3,(H,27,33)(H,28,29,30);2-13H,1H3,(H,30,34)(H,31,35)(H,29,32,33);2-14H,1H3,(H,29,33)(H,30,34)(H,28,31,32);2-16H,1H3,(H,27,31)(H,28,32)(H,26,29,30).
What are the key properties of N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]benzamide;N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-2-chloro-6-fluoro-3-methoxybenzamide;N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-3,5-difluorobenzamide;N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-2,4,5-trifluorobenzamide;N-[4-[6-morpholin-4-yl-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide?
N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]benzamide;N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-2-chloro-6-fluoro-3-methoxybenzamide;N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-3,5-difluorobenzamide;N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-2,4,5-trifluorobenzamide;N-[4-[6-morpholin-4-yl-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide has a molecular weight of 2340.88 g/mol, XLogP of 25.41, 31 rotatable bonds, 14 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]phenyl]benzamide;N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-2-chloro-6-fluoro-3-methoxybenzamide;N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-3,5-difluorobenzamide;N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-2,4,5-trifluorobenzamide;N-[4-[6-morpholin-4-yl-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide is sourced from PubChem (CID 157375421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).