4-amino-3-methoxy-N,N-dimethylbenzamide;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(3-methoxy-N,N-dimethyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]benzamide)

C72H73ClF9N15O9 — CID 158781549

About 4-amino-3-methoxy-N,N-dimethylbenzamide;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(3-methoxy-N,N-dimethyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]benzamide)

4-amino-3-methoxy-N,N-dimethylbenzamide;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(3-methoxy-N,N-dimethyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]benzamide) (PubChem CID 158781549) has the molecular formula C72H73ClF9N15O9 and a molecular weight of 1498.91 g/mol. Its IUPAC name is 4-amino-3-methoxy-N,N-dimethylbenzamide;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(3-methoxy-N,N-dimethyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]benzamide).

Molecular Properties

• Compound Name: 4-amino-3-methoxy-N,N-dimethylbenzamide;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(3-methoxy-N,N-dimethyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]benzamide)
• PubChem CID: 158781549
• Molecular Formula: C72H73ClF9N15O9
• Molecular Weight: 1498.91 g/mol
• Exact Mass: 1497.53
• IUPAC Name: 4-amino-3-methoxy-N,N-dimethylbenzamide;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(3-methoxy-N,N-dimethyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]benzamide)
• SMILES: CNC(=O)c1ccccc1Nc1cc(Cl)ncc1C(F)(F)F.CNC(=O)c1ccccc1Nc1cc(Nc2ccc(C(=O)N(C)C)cc2OC)ncc1C(F)(F)F.CNC(=O)c1ccccc1Nc1cc(Nc2ccc(C(=O)N(C)C)cc2OC)ncc1C(F)(F)F.COc1cc(C(=O)N(C)C)ccc1N
• InChI: InChI=1S/2C24H24F3N5O3.C14H11ClF3N3O.C10H14N2O2/c2*1-28-22(33)15-7-5-6-8-17(15)30-19-12-21(29-13-16(19)24(25,26)27)31-18-10-9-14(11-20(18)35-4)23(34)32(2)3;1-19-13(22)8-4-2-3-5-10(8)21-11-6-12(15)20-7-9(11)14(16,17)18;1-12(2)10(13)7-4-5-8(11)9(6-7)14-3/h2*5-13H,1-4H3,(H,28,33)(H2,29,30,31);2-7H,1H3,(H,19,22)(H,20,21);4-6H,11H2,1-3H3
• InChIKey: IRDKINQLDFXMMR-UHFFFAOYSA-N
• XLogP: 14.15
• TPSA: 300.76 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 18
• Rotatable Bonds: 19
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1498.91
LogP ≤ 5	14.15
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N,N-dimethylbenzamide;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(3-methoxy-N,N-dimethyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]benzamide)?

The IUPAC name of 4-amino-3-methoxy-N,N-dimethylbenzamide;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(3-methoxy-N,N-dimethyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]benzamide) (CID 158781549) is 4-amino-3-methoxy-N,N-dimethylbenzamide;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(3-methoxy-N,N-dimethyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]benzamide).

What is the SMILES notation for 4-amino-3-methoxy-N,N-dimethylbenzamide;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(3-methoxy-N,N-dimethyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]benzamide)?

The canonical SMILES for 4-amino-3-methoxy-N,N-dimethylbenzamide;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(3-methoxy-N,N-dimethyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]benzamide) is CNC(=O)c1ccccc1Nc1cc(Cl)ncc1C(F)(F)F.CNC(=O)c1ccccc1Nc1cc(Nc2ccc(C(=O)N(C)C)cc2OC)ncc1C(F)(F)F.CNC(=O)c1ccccc1Nc1cc(Nc2ccc(C(=O)N(C)C)cc2OC)ncc1C(F)(F)F.COc1cc(C(=O)N(C)C)ccc1N.

What is the InChIKey of 4-amino-3-methoxy-N,N-dimethylbenzamide;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(3-methoxy-N,N-dimethyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]benzamide)?

The InChIKey is IRDKINQLDFXMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H24F3N5O3.C14H11ClF3N3O.C10H14N2O2/c2*1-28-22(33)15-7-5-6-8-17(15)30-19-12-21(29-13-16(19)24(25,26)27)31-18-10-9-14(11-20(18)35-4)23(34)32(2)3;1-19-13(22)8-4-2-3-5-10(8)21-11-6-12(15)20-7-9(11)14(16,17)18;1-12(2)10(13)7-4-5-8(11)9(6-7)14-3/h2*5-13H,1-4H3,(H,28,33)(H2,29,30,31);2-7H,1H3,(H,19,22)(H,20,21);4-6H,11H2,1-3H3.

What are the key properties of 4-amino-3-methoxy-N,N-dimethylbenzamide;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(3-methoxy-N,N-dimethyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]benzamide)?

4-amino-3-methoxy-N,N-dimethylbenzamide;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(3-methoxy-N,N-dimethyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]benzamide) has a molecular weight of 1498.91 g/mol, XLogP of 14.15, 19 rotatable bonds, 9 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-3-methoxy-N,N-dimethylbenzamide;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(3-methoxy-N,N-dimethyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]benzamide) is sourced from PubChem (CID 158781549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).