N-(2H-benzotriazol-4-ylmethyl)-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide;3-ethoxy-4-(4-fluoroimidazol-1-yl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-ethoxy-N-[(5-fluoro-1H-indazol-7-yl)methyl]-N-methyl-4-phenylbenzamide;5-ethoxy-2-fluoro-N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenylbenzamide;4-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-3-phenylbenzamide;4-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-5-phenylpyridine-2-carboxamide;4-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-3-(2H-pyrrol-3-yl)benzamide;7-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-2,3-dihydro-1-benzofuran-4-carboxamide;N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenyl-3-propoxybenzamide

C210H197F5N32O18 — CID 167680576

IUPACN-(2H-benzotriazol-4-ylmethyl)-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide;3-ethoxy-4-(4-fluoroimidazol-1-yl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-ethoxy-N-[(5-fluoro-1H-indazol-7-yl)methyl]-N-methyl-4-phenylbenzamide;5-ethoxy-2-fluoro-N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenylbenzamide;4-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-3-phenylbenzamide;4-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-5-phenylpyridine-2-carboxamide;4-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-3-(2H-pyrrol-3-yl)benzamide;7-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-2,3-dihydro-1-benzofuran-4-carboxamide;N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenyl-3-propoxybenzamide
SMILESCCCOc1cc(C(=O)N(C)Cc2cccc3cn[nH]c23)ccc1-c1ccccc1.CCOc1cc(C(=O)N(C)Cc2cc(F)cc3cn[nH]c23)ccc1-c1ccccc1.CCOc1cc(C(=O)N(C)Cc2cccc3cn[nH]c23)c(F)cc1-c1ccccc1.CCOc1cc(C(=O)N(C)Cc2cccc3cn[nH]c23)ccc1-n1cnc(F)c1.CCOc1cc(C(=O)N(C)Cc2cccc3cn[nH]c23)ncc1-c1ccccc1.CCOc1cc(C(=O)N(C)Cc2cccc3n[nH]nc23)ccc1-c1cccc(F)c1.CCOc1ccc(C(=O)N(C)Cc2cccc3cn[nH]c23)cc1-c1ccccc1.CCOc1ccc(C(=O)N(C)Cc2cccc3cn[nH]c23)cc1C1=CC=NC1.CN(Cc1cccc2cn[nH]c12)C(=O)c1ccc(-c2cccc(F)c2)c2c1CCO2
InChIInChI=1S/C25H25N3O2.C24H20FN3O2.2C24H22FN3O2.C24H23N3O2.C23H21FN4O2.C23H22N4O2.C22H22N4O2.C21H20FN5O2/c1-3-14-30-23-15-19(12-13-22(23)18-8-5-4-6-9-18)25(29)28(2)17-21-11-7-10-20-16-26-27-24(20)21;1-28(14-17-6-2-5-16-13-26-27-22(16)17)24(29)21-9-8-19(23-20(21)10-11-30-23)15-4-3-7-18(25)12-15;1-3-30-22-13-20(21(25)12-19(22)16-8-5-4-6-9-16)24(29)28(2)15-18-11-7-10-17-14-26-27-23(17)18;1-3-30-22-13-17(9-10-21(22)16-7-5-4-6-8-16)24(29)28(2)15-19-12-20(25)11-18-14-26-27-23(18)19;1-3-29-22-13-12-18(14-21(22)17-8-5-4-6-9-17)24(28)27(2)16-20-11-7-10-19-15-25-26-23(19)20;1-3-30-21-13-16(10-11-19(21)15-6-4-8-18(24)12-15)23(29)28(2)14-17-7-5-9-20-22(17)26-27-25-20;1-3-29-21-12-20(24-14-19(21)16-8-5-4-6-9-16)23(28)27(2)15-18-11-7-10-17-13-25-26-22(17)18;1-3-28-20-8-7-15(11-19(20)16-9-10-23-12-16)22(27)26(2)14-18-6-4-5-17-13-24-25-21(17)18;1-3-29-18-9-14(7-8-17(18)27-12-19(22)23-13-27)21(28)26(2)11-16-6-4-5-15-10-24-25-20(15)16/h4-13,15-16H,3,14,17H2,1-2H3,(H,26,27);2-9,12-13H,10-11,14H2,1H3,(H,26,27);2*4-14H,3,15H2,1-2H3,(H,26,27);4-15H,3,16H2,1-2H3,(H,25,26);4-13H,3,14H2,1-2H3,(H,25,26,27);4-14H,3,15H2,1-2H3,(H,25,26);4-11,13H,3,12,14H2,1-2H3,(H,24,25);4-10,12-13H,3,11H2,1-2H3,(H,24,25)
InChIKeyVMBGLZUNQVXRSN-UHFFFAOYSA-N
MW3552.08 g/mol
LogP40.84
Rot. Bonds53

About N-(2H-benzotriazol-4-ylmethyl)-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide;3-ethoxy-4-(4-fluoroimidazol-1-yl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-ethoxy-N-[(5-fluoro-1H-indazol-7-yl)methyl]-N-methyl-4-phenylbenzamide;5-ethoxy-2-fluoro-N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenylbenzamide;4-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-3-phenylbenzamide;4-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-5-phenylpyridine-2-carboxamide;4-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-3-(2H-pyrrol-3-yl)benzamide;7-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-2,3-dihydro-1-benzofuran-4-carboxamide;N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenyl-3-propoxybenzamide

N-(2H-benzotriazol-4-ylmethyl)-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide;3-ethoxy-4-(4-fluoroimidazol-1-yl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-ethoxy-N-[(5-fluoro-1H-indazol-7-yl)methyl]-N-methyl-4-phenylbenzamide;5-ethoxy-2-fluoro-N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenylbenzamide;4-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-3-phenylbenzamide;4-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-5-phenylpyridine-2-carboxamide;4-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-3-(2H-pyrrol-3-yl)benzamide;7-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-2,3-dihydro-1-benzofuran-4-carboxamide;N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenyl-3-propoxybenzamide (PubChem CID 167680576) has the molecular formula C210H197F5N32O18 and a molecular weight of 3552.08 g/mol. Its IUPAC name is N-(2H-benzotriazol-4-ylmethyl)-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide;3-ethoxy-4-(4-fluoroimidazol-1-yl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-ethoxy-N-[(5-fluoro-1H-indazol-7-yl)methyl]-N-methyl-4-phenylbenzamide;5-ethoxy-2-fluoro-N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenylbenzamide;4-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-3-phenylbenzamide;4-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-5-phenylpyridine-2-carboxamide;4-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-3-(2H-pyrrol-3-yl)benzamide;7-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-2,3-dihydro-1-benzofuran-4-carboxamide;N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenyl-3-propoxybenzamide.

Molecular Properties

Compound NameN-(2H-benzotriazol-4-ylmethyl)-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide;3-ethoxy-4-(4-fluoroimidazol-1-yl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-ethoxy-N-[(5-fluoro-1H-indazol-7-yl)methyl]-N-methyl-4-phenylbenzamide;5-ethoxy-2-fluoro-N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenylbenzamide;4-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-3-phenylbenzamide;4-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-5-phenylpyridine-2-carboxamide;4-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-3-(2H-pyrrol-3-yl)benzamide;7-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-2,3-dihydro-1-benzofuran-4-carboxamide;N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenyl-3-propoxybenzamide
PubChem CID167680576
Molecular FormulaC210H197F5N32O18
Molecular Weight3552.08 g/mol
Exact Mass3549.54
IUPAC NameN-(2H-benzotriazol-4-ylmethyl)-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide;3-ethoxy-4-(4-fluoroimidazol-1-yl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-ethoxy-N-[(5-fluoro-1H-indazol-7-yl)methyl]-N-methyl-4-phenylbenzamide;5-ethoxy-2-fluoro-N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenylbenzamide;4-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-3-phenylbenzamide;4-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-5-phenylpyridine-2-carboxamide;4-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-3-(2H-pyrrol-3-yl)benzamide;7-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-2,3-dihydro-1-benzofuran-4-carboxamide;N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenyl-3-propoxybenzamide
SMILESCCCOc1cc(C(=O)N(C)Cc2cccc3cn[nH]c23)ccc1-c1ccccc1.CCOc1cc(C(=O)N(C)Cc2cc(F)cc3cn[nH]c23)ccc1-c1ccccc1.CCOc1cc(C(=O)N(C)Cc2cccc3cn[nH]c23)c(F)cc1-c1ccccc1.CCOc1cc(C(=O)N(C)Cc2cccc3cn[nH]c23)ccc1-n1cnc(F)c1.CCOc1cc(C(=O)N(C)Cc2cccc3cn[nH]c23)ncc1-c1ccccc1.CCOc1cc(C(=O)N(C)Cc2cccc3n[nH]nc23)ccc1-c1cccc(F)c1.CCOc1ccc(C(=O)N(C)Cc2cccc3cn[nH]c23)cc1-c1ccccc1.CCOc1ccc(C(=O)N(C)Cc2cccc3cn[nH]c23)cc1C1=CC=NC1.CN(Cc1cccc2cn[nH]c12)C(=O)c1ccc(-c2cccc(F)c2)c2c1CCO2
InChIInChI=1S/C25H25N3O2.C24H20FN3O2.2C24H22FN3O2.C24H23N3O2.C23H21FN4O2.C23H22N4O2.C22H22N4O2.C21H20FN5O2/c1-3-14-30-23-15-19(12-13-22(23)18-8-5-4-6-9-18)25(29)28(2)17-21-11-7-10-20-16-26-27-24(20)21;1-28(14-17-6-2-5-16-13-26-27-22(16)17)24(29)21-9-8-19(23-20(21)10-11-30-23)15-4-3-7-18(25)12-15;1-3-30-22-13-20(21(25)12-19(22)16-8-5-4-6-9-16)24(29)28(2)15-18-11-7-10-17-14-26-27-23(17)18;1-3-30-22-13-17(9-10-21(22)16-7-5-4-6-8-16)24(29)28(2)15-19-12-20(25)11-18-14-26-27-23(18)19;1-3-29-22-13-12-18(14-21(22)17-8-5-4-6-9-17)24(28)27(2)16-20-11-7-10-19-15-25-26-23(19)20;1-3-30-21-13-16(10-11-19(21)15-6-4-8-18(24)12-15)23(29)28(2)14-17-7-5-9-20-22(17)26-27-25-20;1-3-29-21-12-20(24-14-19(21)16-8-5-4-6-9-16)23(28)27(2)15-18-11-7-10-17-13-25-26-22(17)18;1-3-28-20-8-7-15(11-19(20)16-9-10-23-12-16)22(27)26(2)14-18-6-4-5-17-13-24-25-21(17)18;1-3-29-18-9-14(7-8-17(18)27-12-19(22)23-13-27)21(28)26(2)11-16-6-4-5-15-10-24-25-20(15)16/h4-13,15-16H,3,14,17H2,1-2H3,(H,26,27);2-9,12-13H,10-11,14H2,1H3,(H,26,27);2*4-14H,3,15H2,1-2H3,(H,26,27);4-15H,3,16H2,1-2H3,(H,25,26);4-13H,3,14H2,1-2H3,(H,25,26,27);4-14H,3,15H2,1-2H3,(H,25,26);4-11,13H,3,12,14H2,1-2H3,(H,24,25);4-10,12-13H,3,11H2,1-2H3,(H,24,25)
InChIKeyVMBGLZUNQVXRSN-UHFFFAOYSA-N
XLogP40.84
TPSA579.94 Ų
H-Bond Donors9
H-Bond Acceptors32
Rotatable Bonds53
Heavy Atoms265
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003552.08
LogP ≤ 540.84
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1032

Analyze N-(2H-benzotriazol-4-ylmethyl)-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide;3-ethoxy-4-(4-fluoroimidazol-1-yl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-ethoxy-N-[(5-fluoro-1H-indazol-7-yl)methyl]-N-methyl-4-phenylbenzamide;5-ethoxy-2-fluoro-N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenylbenzamide;4-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-3-phenylbenzamide;4-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-5-phenylpyridine-2-carboxamide;4-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-3-(2H-pyrrol-3-yl)benzamide;7-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-2,3-dihydro-1-benzofuran-4-carboxamide;N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenyl-3-propoxybenzamide with MolForge

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Related Compounds

4-ethoxy-5-(4-fluoroimidazol-1-yl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide
CID 165385267
5-ethoxy-2-fluoro-N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenylbenzamide
CID 165385275
3-ethoxy-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-b]pyridin-7-ylmethyl)benzamide
CID 165385435
2-fluoro-5-[4-[1H-indazol-7-ylmethyl(methyl)carbamoyl]-2-propoxyphenyl]-N-methylbenzamide
CID 165385378
3-cyclobutyloxy-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide
CID 165385394
3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-pyridazin-4-ylbenzamide
CID 165385189
3-ethoxy-4-(3-fluorophenyl)-N-[(6-hydroxy-1H-indazol-7-yl)methyl]-N-methylbenzamide
CID 171106955
3-ethoxy-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-[3-(methylamino)cyclobutyl]benzamide
CID 177350304
3-ethoxy-4-(4-ethynylphenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide
CID 165385424
3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(4-prop-1-ynylphenyl)benzamide
CID 165385234
2-ethoxy-1-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylimidazole-4-carboxamide
CID 165385291
3-ethoxy-4-(3-fluorophenyl)-N-[(1S)-1-(1H-indazol-7-yl)ethyl]-N-methylbenzamide
CID 170020764

Frequently Asked Questions

What is the IUPAC name of N-(2H-benzotriazol-4-ylmethyl)-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide;3-ethoxy-4-(4-fluoroimidazol-1-yl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-ethoxy-N-[(5-fluoro-1H-indazol-7-yl)methyl]-N-methyl-4-phenylbenzamide;5-ethoxy-2-fluoro-N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenylbenzamide;4-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-3-phenylbenzamide;4-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-5-phenylpyridine-2-carboxamide;4-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-3-(2H-pyrrol-3-yl)benzamide;7-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-2,3-dihydro-1-benzofuran-4-carboxamide;N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenyl-3-propoxybenzamide?
The IUPAC name of N-(2H-benzotriazol-4-ylmethyl)-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide;3-ethoxy-4-(4-fluoroimidazol-1-yl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-ethoxy-N-[(5-fluoro-1H-indazol-7-yl)methyl]-N-methyl-4-phenylbenzamide;5-ethoxy-2-fluoro-N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenylbenzamide;4-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-3-phenylbenzamide;4-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-5-phenylpyridine-2-carboxamide;4-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-3-(2H-pyrrol-3-yl)benzamide;7-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-2,3-dihydro-1-benzofuran-4-carboxamide;N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenyl-3-propoxybenzamide (CID 167680576) is N-(2H-benzotriazol-4-ylmethyl)-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide;3-ethoxy-4-(4-fluoroimidazol-1-yl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-ethoxy-N-[(5-fluoro-1H-indazol-7-yl)methyl]-N-methyl-4-phenylbenzamide;5-ethoxy-2-fluoro-N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenylbenzamide;4-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-3-phenylbenzamide;4-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-5-phenylpyridine-2-carboxamide;4-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-3-(2H-pyrrol-3-yl)benzamide;7-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-2,3-dihydro-1-benzofuran-4-carboxamide;N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenyl-3-propoxybenzamide.
What is the SMILES notation for N-(2H-benzotriazol-4-ylmethyl)-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide;3-ethoxy-4-(4-fluoroimidazol-1-yl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-ethoxy-N-[(5-fluoro-1H-indazol-7-yl)methyl]-N-methyl-4-phenylbenzamide;5-ethoxy-2-fluoro-N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenylbenzamide;4-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-3-phenylbenzamide;4-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-5-phenylpyridine-2-carboxamide;4-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-3-(2H-pyrrol-3-yl)benzamide;7-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-2,3-dihydro-1-benzofuran-4-carboxamide;N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenyl-3-propoxybenzamide?
The canonical SMILES for N-(2H-benzotriazol-4-ylmethyl)-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide;3-ethoxy-4-(4-fluoroimidazol-1-yl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-ethoxy-N-[(5-fluoro-1H-indazol-7-yl)methyl]-N-methyl-4-phenylbenzamide;5-ethoxy-2-fluoro-N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenylbenzamide;4-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-3-phenylbenzamide;4-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-5-phenylpyridine-2-carboxamide;4-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-3-(2H-pyrrol-3-yl)benzamide;7-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-2,3-dihydro-1-benzofuran-4-carboxamide;N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenyl-3-propoxybenzamide is CCCOc1cc(C(=O)N(C)Cc2cccc3cn[nH]c23)ccc1-c1ccccc1.CCOc1cc(C(=O)N(C)Cc2cc(F)cc3cn[nH]c23)ccc1-c1ccccc1.CCOc1cc(C(=O)N(C)Cc2cccc3cn[nH]c23)c(F)cc1-c1ccccc1.CCOc1cc(C(=O)N(C)Cc2cccc3cn[nH]c23)ccc1-n1cnc(F)c1.CCOc1cc(C(=O)N(C)Cc2cccc3cn[nH]c23)ncc1-c1ccccc1.CCOc1cc(C(=O)N(C)Cc2cccc3n[nH]nc23)ccc1-c1cccc(F)c1.CCOc1ccc(C(=O)N(C)Cc2cccc3cn[nH]c23)cc1-c1ccccc1.CCOc1ccc(C(=O)N(C)Cc2cccc3cn[nH]c23)cc1C1=CC=NC1.CN(Cc1cccc2cn[nH]c12)C(=O)c1ccc(-c2cccc(F)c2)c2c1CCO2.
What is the InChIKey of N-(2H-benzotriazol-4-ylmethyl)-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide;3-ethoxy-4-(4-fluoroimidazol-1-yl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-ethoxy-N-[(5-fluoro-1H-indazol-7-yl)methyl]-N-methyl-4-phenylbenzamide;5-ethoxy-2-fluoro-N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenylbenzamide;4-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-3-phenylbenzamide;4-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-5-phenylpyridine-2-carboxamide;4-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-3-(2H-pyrrol-3-yl)benzamide;7-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-2,3-dihydro-1-benzofuran-4-carboxamide;N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenyl-3-propoxybenzamide?
The InChIKey is VMBGLZUNQVXRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2.C24H20FN3O2.2C24H22FN3O2.C24H23N3O2.C23H21FN4O2.C23H22N4O2.C22H22N4O2.C21H20FN5O2/c1-3-14-30-23-15-19(12-13-22(23)18-8-5-4-6-9-18)25(29)28(2)17-21-11-7-10-20-16-26-27-24(20)21;1-28(14-17-6-2-5-16-13-26-27-22(16)17)24(29)21-9-8-19(23-20(21)10-11-30-23)15-4-3-7-18(25)12-15;1-3-30-22-13-20(21(25)12-19(22)16-8-5-4-6-9-16)24(29)28(2)15-18-11-7-10-17-14-26-27-23(17)18;1-3-30-22-13-17(9-10-21(22)16-7-5-4-6-8-16)24(29)28(2)15-19-12-20(25)11-18-14-26-27-23(18)19;1-3-29-22-13-12-18(14-21(22)17-8-5-4-6-9-17)24(28)27(2)16-20-11-7-10-19-15-25-26-23(19)20;1-3-30-21-13-16(10-11-19(21)15-6-4-8-18(24)12-15)23(29)28(2)14-17-7-5-9-20-22(17)26-27-25-20;1-3-29-21-12-20(24-14-19(21)16-8-5-4-6-9-16)23(28)27(2)15-18-11-7-10-17-13-25-26-22(17)18;1-3-28-20-8-7-15(11-19(20)16-9-10-23-12-16)22(27)26(2)14-18-6-4-5-17-13-24-25-21(17)18;1-3-29-18-9-14(7-8-17(18)27-12-19(22)23-13-27)21(28)26(2)11-16-6-4-5-15-10-24-25-20(15)16/h4-13,15-16H,3,14,17H2,1-2H3,(H,26,27);2-9,12-13H,10-11,14H2,1H3,(H,26,27);2*4-14H,3,15H2,1-2H3,(H,26,27);4-15H,3,16H2,1-2H3,(H,25,26);4-13H,3,14H2,1-2H3,(H,25,26,27);4-14H,3,15H2,1-2H3,(H,25,26);4-11,13H,3,12,14H2,1-2H3,(H,24,25);4-10,12-13H,3,11H2,1-2H3,(H,24,25).
What are the key properties of N-(2H-benzotriazol-4-ylmethyl)-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide;3-ethoxy-4-(4-fluoroimidazol-1-yl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-ethoxy-N-[(5-fluoro-1H-indazol-7-yl)methyl]-N-methyl-4-phenylbenzamide;5-ethoxy-2-fluoro-N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenylbenzamide;4-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-3-phenylbenzamide;4-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-5-phenylpyridine-2-carboxamide;4-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-3-(2H-pyrrol-3-yl)benzamide;7-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-2,3-dihydro-1-benzofuran-4-carboxamide;N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenyl-3-propoxybenzamide?
N-(2H-benzotriazol-4-ylmethyl)-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide;3-ethoxy-4-(4-fluoroimidazol-1-yl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-ethoxy-N-[(5-fluoro-1H-indazol-7-yl)methyl]-N-methyl-4-phenylbenzamide;5-ethoxy-2-fluoro-N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenylbenzamide;4-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-3-phenylbenzamide;4-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-5-phenylpyridine-2-carboxamide;4-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-3-(2H-pyrrol-3-yl)benzamide;7-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-2,3-dihydro-1-benzofuran-4-carboxamide;N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenyl-3-propoxybenzamide has a molecular weight of 3552.08 g/mol, XLogP of 40.84, 53 rotatable bonds, 9 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-benzotriazol-4-ylmethyl)-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide;3-ethoxy-4-(4-fluoroimidazol-1-yl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-ethoxy-N-[(5-fluoro-1H-indazol-7-yl)methyl]-N-methyl-4-phenylbenzamide;5-ethoxy-2-fluoro-N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenylbenzamide;4-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-3-phenylbenzamide;4-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-5-phenylpyridine-2-carboxamide;4-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-3-(2H-pyrrol-3-yl)benzamide;7-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-2,3-dihydro-1-benzofuran-4-carboxamide;N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenyl-3-propoxybenzamide is sourced from PubChem (CID 167680576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).