3-(5-acetylthiophen-2-yl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(1,3-benzodioxol-5-yl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(6-fluoro-3-pyridinyl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-hydroxyethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-morpholin-4-ylethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide

C184H143F28N21O32S — CID 161148217

IUPAC3-(5-acetylthiophen-2-yl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(1,3-benzodioxol-5-yl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(6-fluoro-3-pyridinyl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-hydroxyethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-morpholin-4-ylethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1ccc(C(C)=O)s1.COc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1ccc(F)nc1.COc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1ccc2c(c1)OCO2.COc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1cccnc1.COc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1ccn[nH]1.COc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1ccncc1.COc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1cncnc1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(OCCN2CCOCC2)c(-c2cncnc2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(OCCO)c(-c2cncnc2)c1
InChIInChI=1S/C24H23F3N4O4.C22H16F3NO5.C21H16F3NO4S.C20H14F4N2O3.C20H16F3N3O4.2C20H15F3N2O3.C19H14F3N3O3.C18H14F3N3O3/c25-24(26,27)35-20-4-2-19(3-5-20)30-23(32)17-1-6-22(21(13-17)18-14-28-16-29-15-18)34-12-9-31-7-10-33-11-8-31;1-28-18-8-3-14(10-17(18)13-2-9-19-20(11-13)30-12-29-19)21(27)26-15-4-6-16(7-5-15)31-22(23,24)25;1-12(26)18-9-10-19(30-18)16-11-13(3-8-17(16)28-2)20(27)25-14-4-6-15(7-5-14)29-21(22,23)24;1-28-17-8-2-12(10-16(17)13-3-9-18(21)25-11-13)19(27)26-14-4-6-15(7-5-14)29-20(22,23)24;21-20(22,23)30-16-4-2-15(3-5-16)26-19(28)13-1-6-18(29-8-7-27)17(9-13)14-10-24-12-25-11-14;1-27-18-7-2-14(12-17(18)13-8-10-24-11-9-13)19(26)25-15-3-5-16(6-4-15)28-20(21,22)23;1-27-18-9-4-13(11-17(18)14-3-2-10-24-12-14)19(26)25-15-5-7-16(8-6-15)28-20(21,22)23;1-27-17-7-2-12(8-16(17)13-9-23-11-24-10-13)18(26)25-14-3-5-15(6-4-14)28-19(20,21)22;1-26-16-7-2-11(10-14(16)15-8-9-22-24-15)17(25)23-12-3-5-13(6-4-12)27-18(19,20)21/h1-6,13-16H,7-12H2,(H,30,32);2-11H,12H2,1H3,(H,26,27);3-11H,1-2H3,(H,25,27);2-11H,1H3,(H,26,27);1-6,9-12,27H,7-8H2,(H,26,28);2*2-12H,1H3,(H,25,26);2-11H,1H3,(H,25,26);2-10H,1H3,(H,22,24)(H,23,25)
InChIKeyUOIIRWMVEHAFSQ-UHFFFAOYSA-N
MW3724.29 g/mol
LogP42.09
Rot. Bonds51

About 3-(5-acetylthiophen-2-yl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(1,3-benzodioxol-5-yl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(6-fluoro-3-pyridinyl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-hydroxyethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-morpholin-4-ylethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide

3-(5-acetylthiophen-2-yl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(1,3-benzodioxol-5-yl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(6-fluoro-3-pyridinyl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-hydroxyethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-morpholin-4-ylethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide (PubChem CID 161148217) has the molecular formula C184H143F28N21O32S and a molecular weight of 3724.29 g/mol. Its IUPAC name is 3-(5-acetylthiophen-2-yl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(1,3-benzodioxol-5-yl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(6-fluoro-3-pyridinyl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-hydroxyethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-morpholin-4-ylethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name3-(5-acetylthiophen-2-yl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(1,3-benzodioxol-5-yl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(6-fluoro-3-pyridinyl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-hydroxyethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-morpholin-4-ylethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide
PubChem CID161148217
Molecular FormulaC184H143F28N21O32S
Molecular Weight3724.29 g/mol
Exact Mass3721.95
IUPAC Name3-(5-acetylthiophen-2-yl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(1,3-benzodioxol-5-yl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(6-fluoro-3-pyridinyl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-hydroxyethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-morpholin-4-ylethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1ccc(C(C)=O)s1.COc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1ccc(F)nc1.COc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1ccc2c(c1)OCO2.COc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1cccnc1.COc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1ccn[nH]1.COc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1ccncc1.COc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1cncnc1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(OCCN2CCOCC2)c(-c2cncnc2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(OCCO)c(-c2cncnc2)c1
InChIInChI=1S/C24H23F3N4O4.C22H16F3NO5.C21H16F3NO4S.C20H14F4N2O3.C20H16F3N3O4.2C20H15F3N2O3.C19H14F3N3O3.C18H14F3N3O3/c25-24(26,27)35-20-4-2-19(3-5-20)30-23(32)17-1-6-22(21(13-17)18-14-28-16-29-15-18)34-12-9-31-7-10-33-11-8-31;1-28-18-8-3-14(10-17(18)13-2-9-19-20(11-13)30-12-29-19)21(27)26-15-4-6-16(7-5-15)31-22(23,24)25;1-12(26)18-9-10-19(30-18)16-11-13(3-8-17(16)28-2)20(27)25-14-4-6-15(7-5-14)29-21(22,23)24;1-28-17-8-2-12(10-16(17)13-3-9-18(21)25-11-13)19(27)26-14-4-6-15(7-5-14)29-20(22,23)24;21-20(22,23)30-16-4-2-15(3-5-16)26-19(28)13-1-6-18(29-8-7-27)17(9-13)14-10-24-12-25-11-14;1-27-18-7-2-14(12-17(18)13-8-10-24-11-9-13)19(26)25-15-3-5-16(6-4-15)28-20(21,22)23;1-27-18-9-4-13(11-17(18)14-3-2-10-24-12-14)19(26)25-15-5-7-16(8-6-15)28-20(21,22)23;1-27-17-7-2-12(8-16(17)13-9-23-11-24-10-13)18(26)25-14-3-5-15(6-4-14)28-19(20,21)22;1-26-16-7-2-11(10-14(16)15-8-9-22-24-15)17(25)23-12-3-5-13(6-4-12)27-18(19,20)21/h1-6,13-16H,7-12H2,(H,30,32);2-11H,12H2,1H3,(H,26,27);3-11H,1-2H3,(H,25,27);2-11H,1H3,(H,26,27);1-6,9-12,27H,7-8H2,(H,26,28);2*2-12H,1H3,(H,25,26);2-11H,1H3,(H,25,26);2-10H,1H3,(H,22,24)(H,23,25)
InChIKeyUOIIRWMVEHAFSQ-UHFFFAOYSA-N
XLogP42.09
TPSA640.96 Ų
H-Bond Donors11
H-Bond Acceptors44
Rotatable Bonds51
Heavy Atoms266
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003724.29
LogP ≤ 542.09
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

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

Analyze 3-(5-acetylthiophen-2-yl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(1,3-benzodioxol-5-yl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(6-fluoro-3-pyridinyl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-hydroxyethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-morpholin-4-ylethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide with MolForge

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Related Compounds

3-(5-acetylthiophen-2-yl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(1,3-benzodioxol-5-yl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(6-fluoro-3-pyridinyl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-hydroxyethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethoxy]-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-morpholin-4-ylethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 157983494
6-(2-hydroxyethoxy)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(5-hydroxypentoxy)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-hydroxy-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-(2-methoxyethoxy)-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(2-methoxyethoxy)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-methoxy-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethoxy]-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-(oxan-4-yloxy)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;3-pyrimidin-5-yl-4-(2-pyrrolidin-1-ylethoxy)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 159015053
3-(5-acetylthiophen-2-yl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-hydroxyethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-(5-hydroxypentoxy)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-hydroxy-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-methoxy-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethoxy]-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-morpholin-4-ylethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-pyrimidin-5-yl-4-(2-pyrrolidin-1-ylethoxy)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 159252762
3-(5-acetylthiophen-2-yl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(1,3-benzodioxol-5-yl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(6-fluoro-3-pyridinyl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-morpholin-4-ylethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 160133718
6-(2-hydroxyethoxy)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(5-hydroxypentoxy)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-hydroxy-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-(2-methoxyethoxy)-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(2-methoxyethoxy)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-methoxy-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-(oxan-4-yloxy)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;3-pyrimidin-5-yl-4-(2-pyrrolidin-1-ylethoxy)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 160521268

Frequently Asked Questions

What is the IUPAC name of 3-(5-acetylthiophen-2-yl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(1,3-benzodioxol-5-yl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(6-fluoro-3-pyridinyl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-hydroxyethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-morpholin-4-ylethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 3-(5-acetylthiophen-2-yl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(1,3-benzodioxol-5-yl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(6-fluoro-3-pyridinyl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-hydroxyethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-morpholin-4-ylethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide (CID 161148217) is 3-(5-acetylthiophen-2-yl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(1,3-benzodioxol-5-yl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(6-fluoro-3-pyridinyl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-hydroxyethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-morpholin-4-ylethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 3-(5-acetylthiophen-2-yl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(1,3-benzodioxol-5-yl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(6-fluoro-3-pyridinyl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-hydroxyethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-morpholin-4-ylethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 3-(5-acetylthiophen-2-yl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(1,3-benzodioxol-5-yl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(6-fluoro-3-pyridinyl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-hydroxyethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-morpholin-4-ylethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide is COc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1ccc(C(C)=O)s1.COc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1ccc(F)nc1.COc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1ccc2c(c1)OCO2.COc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1cccnc1.COc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1ccn[nH]1.COc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1ccncc1.COc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1cncnc1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(OCCN2CCOCC2)c(-c2cncnc2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(OCCO)c(-c2cncnc2)c1.
What is the InChIKey of 3-(5-acetylthiophen-2-yl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(1,3-benzodioxol-5-yl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(6-fluoro-3-pyridinyl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-hydroxyethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-morpholin-4-ylethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is UOIIRWMVEHAFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O4.C22H16F3NO5.C21H16F3NO4S.C20H14F4N2O3.C20H16F3N3O4.2C20H15F3N2O3.C19H14F3N3O3.C18H14F3N3O3/c25-24(26,27)35-20-4-2-19(3-5-20)30-23(32)17-1-6-22(21(13-17)18-14-28-16-29-15-18)34-12-9-31-7-10-33-11-8-31;1-28-18-8-3-14(10-17(18)13-2-9-19-20(11-13)30-12-29-19)21(27)26-15-4-6-16(7-5-15)31-22(23,24)25;1-12(26)18-9-10-19(30-18)16-11-13(3-8-17(16)28-2)20(27)25-14-4-6-15(7-5-14)29-21(22,23)24;1-28-17-8-2-12(10-16(17)13-3-9-18(21)25-11-13)19(27)26-14-4-6-15(7-5-14)29-20(22,23)24;21-20(22,23)30-16-4-2-15(3-5-16)26-19(28)13-1-6-18(29-8-7-27)17(9-13)14-10-24-12-25-11-14;1-27-18-7-2-14(12-17(18)13-8-10-24-11-9-13)19(26)25-15-3-5-16(6-4-15)28-20(21,22)23;1-27-18-9-4-13(11-17(18)14-3-2-10-24-12-14)19(26)25-15-5-7-16(8-6-15)28-20(21,22)23;1-27-17-7-2-12(8-16(17)13-9-23-11-24-10-13)18(26)25-14-3-5-15(6-4-14)28-19(20,21)22;1-26-16-7-2-11(10-14(16)15-8-9-22-24-15)17(25)23-12-3-5-13(6-4-12)27-18(19,20)21/h1-6,13-16H,7-12H2,(H,30,32);2-11H,12H2,1H3,(H,26,27);3-11H,1-2H3,(H,25,27);2-11H,1H3,(H,26,27);1-6,9-12,27H,7-8H2,(H,26,28);2*2-12H,1H3,(H,25,26);2-11H,1H3,(H,25,26);2-10H,1H3,(H,22,24)(H,23,25).
What are the key properties of 3-(5-acetylthiophen-2-yl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(1,3-benzodioxol-5-yl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(6-fluoro-3-pyridinyl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-hydroxyethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-morpholin-4-ylethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide?
3-(5-acetylthiophen-2-yl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(1,3-benzodioxol-5-yl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(6-fluoro-3-pyridinyl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-hydroxyethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-morpholin-4-ylethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 3724.29 g/mol, XLogP of 42.09, 51 rotatable bonds, 11 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-acetylthiophen-2-yl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(1,3-benzodioxol-5-yl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(6-fluoro-3-pyridinyl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-hydroxyethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-morpholin-4-ylethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 161148217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).