N,N-dimethyl-4-phenylbenzamide;4-[5-methoxy-2-methyl-4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-N-methylbenzamide

C40H39F3N8O3 — CID 68559514

About N,N-dimethyl-4-phenylbenzamide;4-[5-methoxy-2-methyl-4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-N-methylbenzamide

N,N-dimethyl-4-phenylbenzamide;4-[5-methoxy-2-methyl-4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-N-methylbenzamide (PubChem CID 68559514) has the molecular formula C40H39F3N8O3 and a molecular weight of 736.80 g/mol. Its IUPAC name is N,N-dimethyl-4-phenylbenzamide;4-[5-methoxy-2-methyl-4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-N-methylbenzamide.

Molecular Properties

• Compound Name: N,N-dimethyl-4-phenylbenzamide;4-[5-methoxy-2-methyl-4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-N-methylbenzamide
• PubChem CID: 68559514
• Molecular Formula: C40H39F3N8O3
• Molecular Weight: 736.80 g/mol
• Exact Mass: 736.31
• IUPAC Name: N,N-dimethyl-4-phenylbenzamide;4-[5-methoxy-2-methyl-4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-N-methylbenzamide
• SMILES: CN(C)C(=O)c1ccc(-c2ccccc2)cc1.CNC(=O)c1ccc(-c2cc(OC)c(Nc3ncc(C(F)(F)F)c(Nc4cc(C)[nH]n4)n3)cc2C)cc1
• InChI: InChI=1S/C25H24F3N7O2.C15H15NO/c1-13-9-19(20(37-4)11-17(13)15-5-7-16(8-6-15)23(36)29-3)31-24-30-12-18(25(26,27)28)22(33-24)32-21-10-14(2)34-35-21;1-16(2)15(17)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h5-12H,1-4H3,(H,29,36)(H3,30,31,32,33,34,35);3-11H,1-2H3
• InChIKey: YGKCTQOLJOLMBM-UHFFFAOYSA-N
• XLogP: 8.41
• TPSA: 137.16 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	736.80
LogP ≤ 5	8.41
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-phenylbenzamide;4-[5-methoxy-2-methyl-4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-N-methylbenzamide?

The IUPAC name of N,N-dimethyl-4-phenylbenzamide;4-[5-methoxy-2-methyl-4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-N-methylbenzamide (CID 68559514) is N,N-dimethyl-4-phenylbenzamide;4-[5-methoxy-2-methyl-4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-N-methylbenzamide.

What is the SMILES notation for N,N-dimethyl-4-phenylbenzamide;4-[5-methoxy-2-methyl-4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-N-methylbenzamide?

The canonical SMILES for N,N-dimethyl-4-phenylbenzamide;4-[5-methoxy-2-methyl-4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-N-methylbenzamide is CN(C)C(=O)c1ccc(-c2ccccc2)cc1.CNC(=O)c1ccc(-c2cc(OC)c(Nc3ncc(C(F)(F)F)c(Nc4cc(C)[nH]n4)n3)cc2C)cc1.

What is the InChIKey of N,N-dimethyl-4-phenylbenzamide;4-[5-methoxy-2-methyl-4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-N-methylbenzamide?

The InChIKey is YGKCTQOLJOLMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N7O2.C15H15NO/c1-13-9-19(20(37-4)11-17(13)15-5-7-16(8-6-15)23(36)29-3)31-24-30-12-18(25(26,27)28)22(33-24)32-21-10-14(2)34-35-21;1-16(2)15(17)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h5-12H,1-4H3,(H,29,36)(H3,30,31,32,33,34,35);3-11H,1-2H3.

What are the key properties of N,N-dimethyl-4-phenylbenzamide;4-[5-methoxy-2-methyl-4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-N-methylbenzamide?

N,N-dimethyl-4-phenylbenzamide;4-[5-methoxy-2-methyl-4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-N-methylbenzamide has a molecular weight of 736.80 g/mol, XLogP of 8.41, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-4-phenylbenzamide;4-[5-methoxy-2-methyl-4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-N-methylbenzamide is sourced from PubChem (CID 68559514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).