N-[4-chloro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-3-ethynylbenzamide;N-[4-chloro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;N-[3-[ethyl(pyrimidin-5-yl)amino]phenyl]-3-ethynylbenzamide;N-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;3-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]benzamide

C98H85Cl2FN20O5 — CID 157064261

About N-[4-chloro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-3-ethynylbenzamide;N-[4-chloro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;N-[3-[ethyl(pyrimidin-5-yl)amino]phenyl]-3-ethynylbenzamide;N-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;3-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]benzamide

N-[4-chloro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-3-ethynylbenzamide;N-[4-chloro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;N-[3-[ethyl(pyrimidin-5-yl)amino]phenyl]-3-ethynylbenzamide;N-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;3-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]benzamide (PubChem CID 157064261) has the molecular formula C98H85Cl2FN20O5 and a molecular weight of 1712.80 g/mol. Its IUPAC name is N-[4-chloro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-3-ethynylbenzamide;N-[4-chloro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;N-[3-[ethyl(pyrimidin-5-yl)amino]phenyl]-3-ethynylbenzamide;N-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;3-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]benzamide.

Molecular Properties

• Compound Name: N-[4-chloro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-3-ethynylbenzamide;N-[4-chloro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;N-[3-[ethyl(pyrimidin-5-yl)amino]phenyl]-3-ethynylbenzamide;N-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;3-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]benzamide
• PubChem CID: 157064261
• Molecular Formula: C98H85Cl2FN20O5
• Molecular Weight: 1712.80 g/mol
• Exact Mass: 1710.64
• IUPAC Name: N-[4-chloro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-3-ethynylbenzamide;N-[4-chloro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;N-[3-[ethyl(pyrimidin-5-yl)amino]phenyl]-3-ethynylbenzamide;N-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;3-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]benzamide
• SMILES: C#Cc1cccc(C(=O)Nc2ccc(Cl)c(N(C)c3cncnc3)c2)c1.C#Cc1cccc(C(=O)Nc2cccc(N(CC)c3cncnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(F)cc(N(C)c3cncnc3)c2)c1.Cc1cccc(C(=O)Nc2ccc(Cl)c(N(C)c3cncnc3)c2)c1.Cc1cccc(C(=O)Nc2cccc(N(C)c3cncnc3)c2)c1
• InChI: InChI=1S/C21H18N4O.C20H15ClN4O.C19H17ClN4O.C19H17FN4O.C19H18N4O/c1-3-16-7-5-8-17(11-16)21(26)24-18-9-6-10-19(12-18)25(4-2)20-13-22-15-23-14-20;1-3-14-5-4-6-15(9-14)20(26)24-16-7-8-18(21)19(10-16)25(2)17-11-22-13-23-12-17;1-13-4-3-5-14(8-13)19(25)23-15-6-7-17(20)18(9-15)24(2)16-10-21-12-22-11-16;1-13-4-3-5-14(6-13)19(25)23-16-7-15(20)8-17(9-16)24(2)18-10-21-12-22-11-18;1-14-5-3-6-15(9-14)19(24)22-16-7-4-8-17(10-16)23(2)18-11-20-13-21-12-18/h1,5-15H,4H2,2H3,(H,24,26);1,4-13H,2H3,(H,24,26);2*3-12H,1-2H3,(H,23,25);3-13H,1-2H3,(H,22,24)
• InChIKey: ABRNJKWFFYTSGG-UHFFFAOYSA-N
• XLogP: 20.21
• TPSA: 290.60 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 21
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1712.80
LogP ≤ 5	20.21
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-3-ethynylbenzamide;N-[4-chloro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;N-[3-[ethyl(pyrimidin-5-yl)amino]phenyl]-3-ethynylbenzamide;N-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;3-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]benzamide?

The IUPAC name of N-[4-chloro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-3-ethynylbenzamide;N-[4-chloro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;N-[3-[ethyl(pyrimidin-5-yl)amino]phenyl]-3-ethynylbenzamide;N-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;3-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]benzamide (CID 157064261) is N-[4-chloro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-3-ethynylbenzamide;N-[4-chloro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;N-[3-[ethyl(pyrimidin-5-yl)amino]phenyl]-3-ethynylbenzamide;N-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;3-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]benzamide.

What is the SMILES notation for N-[4-chloro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-3-ethynylbenzamide;N-[4-chloro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;N-[3-[ethyl(pyrimidin-5-yl)amino]phenyl]-3-ethynylbenzamide;N-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;3-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]benzamide?

The canonical SMILES for N-[4-chloro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-3-ethynylbenzamide;N-[4-chloro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;N-[3-[ethyl(pyrimidin-5-yl)amino]phenyl]-3-ethynylbenzamide;N-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;3-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]benzamide is C#Cc1cccc(C(=O)Nc2ccc(Cl)c(N(C)c3cncnc3)c2)c1.C#Cc1cccc(C(=O)Nc2cccc(N(CC)c3cncnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(F)cc(N(C)c3cncnc3)c2)c1.Cc1cccc(C(=O)Nc2ccc(Cl)c(N(C)c3cncnc3)c2)c1.Cc1cccc(C(=O)Nc2cccc(N(C)c3cncnc3)c2)c1.

What is the InChIKey of N-[4-chloro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-3-ethynylbenzamide;N-[4-chloro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;N-[3-[ethyl(pyrimidin-5-yl)amino]phenyl]-3-ethynylbenzamide;N-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;3-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]benzamide?

The InChIKey is ABRNJKWFFYTSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O.C20H15ClN4O.C19H17ClN4O.C19H17FN4O.C19H18N4O/c1-3-16-7-5-8-17(11-16)21(26)24-18-9-6-10-19(12-18)25(4-2)20-13-22-15-23-14-20;1-3-14-5-4-6-15(9-14)20(26)24-16-7-8-18(21)19(10-16)25(2)17-11-22-13-23-12-17;1-13-4-3-5-14(8-13)19(25)23-15-6-7-17(20)18(9-15)24(2)16-10-21-12-22-11-16;1-13-4-3-5-14(6-13)19(25)23-16-7-15(20)8-17(9-16)24(2)18-10-21-12-22-11-18;1-14-5-3-6-15(9-14)19(24)22-16-7-4-8-17(10-16)23(2)18-11-20-13-21-12-18/h1,5-15H,4H2,2H3,(H,24,26);1,4-13H,2H3,(H,24,26);2*3-12H,1-2H3,(H,23,25);3-13H,1-2H3,(H,22,24).

What are the key properties of N-[4-chloro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-3-ethynylbenzamide;N-[4-chloro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;N-[3-[ethyl(pyrimidin-5-yl)amino]phenyl]-3-ethynylbenzamide;N-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;3-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]benzamide?

N-[4-chloro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-3-ethynylbenzamide;N-[4-chloro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;N-[3-[ethyl(pyrimidin-5-yl)amino]phenyl]-3-ethynylbenzamide;N-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;3-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]benzamide has a molecular weight of 1712.80 g/mol, XLogP of 20.21, 21 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-chloro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-3-ethynylbenzamide;N-[4-chloro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;N-[3-[ethyl(pyrimidin-5-yl)amino]phenyl]-3-ethynylbenzamide;N-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;3-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]benzamide is sourced from PubChem (CID 157064261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).