N-[2-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[2-(2-hydroxyethylamino)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[2-(2-methoxyethylamino)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[2-[2-methoxyethyl(methyl)amino]-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;4-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-(4-pyridin-3-yltriazol-1-yl)benzamide

C128H120F15N31O9 — CID 160610092

About N-[2-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[2-(2-hydroxyethylamino)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[2-(2-methoxyethylamino)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[2-[2-methoxyethyl(methyl)amino]-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;4-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-(4-pyridin-3-yltriazol-1-yl)benzamide

N-[2-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[2-(2-hydroxyethylamino)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[2-(2-methoxyethylamino)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[2-[2-methoxyethyl(methyl)amino]-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;4-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-(4-pyridin-3-yltriazol-1-yl)benzamide (PubChem CID 160610092) has the molecular formula C128H120F15N31O9 and a molecular weight of 2521.55 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[2-(2-hydroxyethylamino)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[2-(2-methoxyethylamino)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[2-[2-methoxyethyl(methyl)amino]-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;4-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-(4-pyridin-3-yltriazol-1-yl)benzamide.

Molecular Properties

• Compound Name: N-[2-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[2-(2-hydroxyethylamino)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[2-(2-methoxyethylamino)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[2-[2-methoxyethyl(methyl)amino]-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;4-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-(4-pyridin-3-yltriazol-1-yl)benzamide
• PubChem CID: 160610092
• Molecular Formula: C128H120F15N31O9
• Molecular Weight: 2521.55 g/mol
• Exact Mass: 2519.96
• IUPAC Name: N-[2-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[2-(2-hydroxyethylamino)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[2-(2-methoxyethylamino)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[2-[2-methoxyethyl(methyl)amino]-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;4-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-(4-pyridin-3-yltriazol-1-yl)benzamide
• SMILES: COCCN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(-n2cc(-c3cccnc3)nn2)c1.COCCNc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(-n2cc(-c3cccnc3)nn2)c1.Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N(C)CCN(C)C)cc1-n1cc(-c2cccnc2)nn1.Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1-n1cc(-c2cccnc2)nn1.Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2NCCO)cc1-n1cc(-c2cccnc2)nn1
• InChI: InChI=1S/C27H28F3N7O.C26H23F3N6O2.C26H25F3N6O2.C25H23F3N6O2.C24H21F3N6O2/c1-18-7-8-19(14-25(18)37-17-23(33-34-37)20-6-5-11-31-16-20)26(38)32-22-15-21(27(28,29)30)9-10-24(22)36(4)13-12-35(2)3;1-17-4-5-18(13-24(17)35-16-22(32-33-35)19-3-2-8-30-15-19)25(36)31-21-14-20(26(27,28)29)6-7-23(21)34-9-11-37-12-10-34;1-17-6-7-18(13-24(17)35-16-22(32-33-35)19-5-4-10-30-15-19)25(36)31-21-14-20(26(27,28)29)8-9-23(21)34(2)11-12-37-3;1-16-5-6-17(12-23(16)34-15-22(32-33-34)18-4-3-9-29-14-18)24(35)31-21-13-19(25(26,27)28)7-8-20(21)30-10-11-36-2;1-15-4-5-16(11-22(15)33-14-21(31-32-33)17-3-2-8-28-13-17)23(35)30-20-12-18(24(25,26)27)6-7-19(20)29-9-10-34/h5-11,14-17H,12-13H2,1-4H3,(H,32,38);2-8,13-16H,9-12H2,1H3,(H,31,36);4-10,13-16H,11-12H2,1-3H3,(H,31,36);3-9,12-15,30H,10-11H2,1-2H3,(H,31,35);2-8,11-14,29,34H,9-10H2,1H3,(H,30,35)
• InChIKey: RFKBGQXHJQIHJM-UHFFFAOYSA-N
• XLogP: 23.92
• TPSA: 448.44 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 35
• Rotatable Bonds: 36
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2521.55
LogP ≤ 5	23.92
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[2-(2-hydroxyethylamino)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[2-(2-methoxyethylamino)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[2-[2-methoxyethyl(methyl)amino]-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;4-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-(4-pyridin-3-yltriazol-1-yl)benzamide?

The IUPAC name of N-[2-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[2-(2-hydroxyethylamino)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[2-(2-methoxyethylamino)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[2-[2-methoxyethyl(methyl)amino]-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;4-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-(4-pyridin-3-yltriazol-1-yl)benzamide (CID 160610092) is N-[2-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[2-(2-hydroxyethylamino)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[2-(2-methoxyethylamino)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[2-[2-methoxyethyl(methyl)amino]-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;4-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-(4-pyridin-3-yltriazol-1-yl)benzamide.

What is the SMILES notation for N-[2-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[2-(2-hydroxyethylamino)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[2-(2-methoxyethylamino)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[2-[2-methoxyethyl(methyl)amino]-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;4-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-(4-pyridin-3-yltriazol-1-yl)benzamide?

The canonical SMILES for N-[2-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[2-(2-hydroxyethylamino)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[2-(2-methoxyethylamino)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[2-[2-methoxyethyl(methyl)amino]-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;4-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-(4-pyridin-3-yltriazol-1-yl)benzamide is COCCN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(-n2cc(-c3cccnc3)nn2)c1.COCCNc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(-n2cc(-c3cccnc3)nn2)c1.Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N(C)CCN(C)C)cc1-n1cc(-c2cccnc2)nn1.Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1-n1cc(-c2cccnc2)nn1.Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2NCCO)cc1-n1cc(-c2cccnc2)nn1.

What is the InChIKey of N-[2-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[2-(2-hydroxyethylamino)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[2-(2-methoxyethylamino)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[2-[2-methoxyethyl(methyl)amino]-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;4-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-(4-pyridin-3-yltriazol-1-yl)benzamide?

The InChIKey is RFKBGQXHJQIHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F3N7O.C26H23F3N6O2.C26H25F3N6O2.C25H23F3N6O2.C24H21F3N6O2/c1-18-7-8-19(14-25(18)37-17-23(33-34-37)20-6-5-11-31-16-20)26(38)32-22-15-21(27(28,29)30)9-10-24(22)36(4)13-12-35(2)3;1-17-4-5-18(13-24(17)35-16-22(32-33-35)19-3-2-8-30-15-19)25(36)31-21-14-20(26(27,28)29)6-7-23(21)34-9-11-37-12-10-34;1-17-6-7-18(13-24(17)35-16-22(32-33-35)19-5-4-10-30-15-19)25(36)31-21-14-20(26(27,28)29)8-9-23(21)34(2)11-12-37-3;1-16-5-6-17(12-23(16)34-15-22(32-33-34)18-4-3-9-29-14-18)24(35)31-21-13-19(25(26,27)28)7-8-20(21)30-10-11-36-2;1-15-4-5-16(11-22(15)33-14-21(31-32-33)17-3-2-8-28-13-17)23(35)30-20-12-18(24(25,26)27)6-7-19(20)29-9-10-34/h5-11,14-17H,12-13H2,1-4H3,(H,32,38);2-8,13-16H,9-12H2,1H3,(H,31,36);4-10,13-16H,11-12H2,1-3H3,(H,31,36);3-9,12-15,30H,10-11H2,1-2H3,(H,31,35);2-8,11-14,29,34H,9-10H2,1H3,(H,30,35).

What are the key properties of N-[2-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[2-(2-hydroxyethylamino)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[2-(2-methoxyethylamino)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[2-[2-methoxyethyl(methyl)amino]-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;4-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-(4-pyridin-3-yltriazol-1-yl)benzamide?

N-[2-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[2-(2-hydroxyethylamino)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[2-(2-methoxyethylamino)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[2-[2-methoxyethyl(methyl)amino]-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;4-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-(4-pyridin-3-yltriazol-1-yl)benzamide has a molecular weight of 2521.55 g/mol, XLogP of 23.92, 36 rotatable bonds, 8 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[2-(2-hydroxyethylamino)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[2-(2-methoxyethylamino)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;N-[2-[2-methoxyethyl(methyl)amino]-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide;4-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-(4-pyridin-3-yltriazol-1-yl)benzamide is sourced from PubChem (CID 160610092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).