About 1-(2-anilino-4-chloro-1,3-benzoxazol-6-yl)-3-methylbutan-2-one;1-[4-chloro-2-(2-chloroanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-1H-indole-3-carboxamide;1-[2-(4,5-difluoro-2-methylanilino)-7-fluoro-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[5-fluoro-2-(4-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[7-fluoro-2-(2-hydroxyanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[2-(4-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;N-[2-methoxy-4-(3-methyl-2-oxobutyl)phenyl]-1H-indole-3-carboxamide
1-(2-anilino-4-chloro-1,3-benzoxazol-6-yl)-3-methylbutan-2-one;1-[4-chloro-2-(2-chloroanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-1H-indole-3-carboxamide;1-[2-(4,5-difluoro-2-methylanilino)-7-fluoro-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[5-fluoro-2-(4-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[7-fluoro-2-(2-hydroxyanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[2-(4-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;N-[2-methoxy-4-(3-methyl-2-oxobutyl)phenyl]-1H-indole-3-carboxamide (PubChem CID 160517627) has the molecular formula C152H145Cl4F7N16O18
and a molecular weight of 2758.72 g/mol. Its IUPAC name is 1-(2-anilino-4-chloro-1,3-benzoxazol-6-yl)-3-methylbutan-2-one;1-[4-chloro-2-(2-chloroanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-1H-indole-3-carboxamide;1-[2-(4,5-difluoro-2-methylanilino)-7-fluoro-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[5-fluoro-2-(4-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[7-fluoro-2-(2-hydroxyanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[2-(4-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;N-[2-methoxy-4-(3-methyl-2-oxobutyl)phenyl]-1H-indole-3-carboxamide.
Frequently Asked Questions
What is the IUPAC name of 1-(2-anilino-4-chloro-1,3-benzoxazol-6-yl)-3-methylbutan-2-one;1-[4-chloro-2-(2-chloroanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-1H-indole-3-carboxamide;1-[2-(4,5-difluoro-2-methylanilino)-7-fluoro-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[5-fluoro-2-(4-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[7-fluoro-2-(2-hydroxyanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[2-(4-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;N-[2-methoxy-4-(3-methyl-2-oxobutyl)phenyl]-1H-indole-3-carboxamide?
The IUPAC name of 1-(2-anilino-4-chloro-1,3-benzoxazol-6-yl)-3-methylbutan-2-one;1-[4-chloro-2-(2-chloroanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-1H-indole-3-carboxamide;1-[2-(4,5-difluoro-2-methylanilino)-7-fluoro-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[5-fluoro-2-(4-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[7-fluoro-2-(2-hydroxyanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[2-(4-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;N-[2-methoxy-4-(3-methyl-2-oxobutyl)phenyl]-1H-indole-3-carboxamide (CID 160517627) is 1-(2-anilino-4-chloro-1,3-benzoxazol-6-yl)-3-methylbutan-2-one;1-[4-chloro-2-(2-chloroanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-1H-indole-3-carboxamide;1-[2-(4,5-difluoro-2-methylanilino)-7-fluoro-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[5-fluoro-2-(4-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[7-fluoro-2-(2-hydroxyanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[2-(4-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;N-[2-methoxy-4-(3-methyl-2-oxobutyl)phenyl]-1H-indole-3-carboxamide.
What is the SMILES notation for 1-(2-anilino-4-chloro-1,3-benzoxazol-6-yl)-3-methylbutan-2-one;1-[4-chloro-2-(2-chloroanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-1H-indole-3-carboxamide;1-[2-(4,5-difluoro-2-methylanilino)-7-fluoro-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[5-fluoro-2-(4-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[7-fluoro-2-(2-hydroxyanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[2-(4-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;N-[2-methoxy-4-(3-methyl-2-oxobutyl)phenyl]-1H-indole-3-carboxamide?
The canonical SMILES for 1-(2-anilino-4-chloro-1,3-benzoxazol-6-yl)-3-methylbutan-2-one;1-[4-chloro-2-(2-chloroanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-1H-indole-3-carboxamide;1-[2-(4,5-difluoro-2-methylanilino)-7-fluoro-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[5-fluoro-2-(4-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[7-fluoro-2-(2-hydroxyanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[2-(4-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;N-[2-methoxy-4-(3-methyl-2-oxobutyl)phenyl]-1H-indole-3-carboxamide is CC(C)C(=O)Cc1cc(Cl)c2nc(Nc3ccccc3)oc2c1.CC(C)C(=O)Cc1cc(Cl)c2nc(Nc3ccccc3Cl)oc2c1.CC(C)C(=O)Cc1ccc(NC(=O)c2c[nH]c3ccccc23)c(Cl)c1.CC(C)C(=O)Cc1ccc2nc(Nc3ccccc3O)oc2c1F.COc1cc(CC(=O)C(C)C)ccc1NC(=O)c1c[nH]c2ccccc12.Cc1cc(F)c(F)cc1Nc1nc2ccc(CC(=O)C(C)C)c(F)c2o1.Cc1cc(F)ccc1Nc1nc2cc(F)c(CC(=O)C(C)C)cc2o1.Cc1cc(F)ccc1Nc1nc2ccc(CC(=O)C(C)C)cc2o1.
What is the InChIKey of 1-(2-anilino-4-chloro-1,3-benzoxazol-6-yl)-3-methylbutan-2-one;1-[4-chloro-2-(2-chloroanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-1H-indole-3-carboxamide;1-[2-(4,5-difluoro-2-methylanilino)-7-fluoro-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[5-fluoro-2-(4-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[7-fluoro-2-(2-hydroxyanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[2-(4-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;N-[2-methoxy-4-(3-methyl-2-oxobutyl)phenyl]-1H-indole-3-carboxamide?
The InChIKey is QTVZBTNRNJSMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3.C20H19ClN2O2.C19H17F3N2O2.C19H18F2N2O2.C19H19FN2O2.C18H16Cl2N2O2.C18H17ClN2O2.C18H17FN2O3/c1-13(2)19(24)10-14-8-9-18(20(11-14)26-3)23-21(25)16-12-22-17-7-5-4-6-15(16)17;1-12(2)19(24)10-13-7-8-18(16(21)9-13)23-20(25)15-11-22-17-6-4-3-5-14(15)17;1-9(2)16(25)7-11-4-5-14-18(17(11)22)26-19(23-14)24-15-8-13(21)12(20)6-10(15)3;1-10(2)17(24)7-12-8-18-16(9-14(12)21)23-19(25-18)22-15-5-4-13(20)6-11(15)3;1-11(2)17(23)9-13-4-6-16-18(10-13)24-19(22-16)21-15-7-5-14(20)8-12(15)3;1-10(2)15(23)8-11-7-13(20)17-16(9-11)24-18(22-17)21-14-6-4-3-5-12(14)19;1-11(2)15(22)9-12-8-14(19)17-16(10-12)23-18(21-17)20-13-6-4-3-5-7-13;1-10(2)15(23)9-11-7-8-13-17(16(11)19)24-18(21-13)20-12-5-3-4-6-14(12)22/h4-9,11-13,22H,10H2,1-3H3,(H,23,25);3-9,11-12,22H,10H2,1-2H3,(H,23,25);4-6,8-9H,7H2,1-3H3,(H,23,24);4-6,8-10H,7H2,1-3H3,(H,22,23);4-8,10-11H,9H2,1-3H3,(H,21,22);3-7,9-10H,8H2,1-2H3,(H,21,22);3-8,10-11H,9H2,1-2H3,(H,20,21);3-8,10,22H,9H2,1-2H3,(H,20,21).
What are the key properties of 1-(2-anilino-4-chloro-1,3-benzoxazol-6-yl)-3-methylbutan-2-one;1-[4-chloro-2-(2-chloroanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-1H-indole-3-carboxamide;1-[2-(4,5-difluoro-2-methylanilino)-7-fluoro-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[5-fluoro-2-(4-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[7-fluoro-2-(2-hydroxyanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[2-(4-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;N-[2-methoxy-4-(3-methyl-2-oxobutyl)phenyl]-1H-indole-3-carboxamide?
1-(2-anilino-4-chloro-1,3-benzoxazol-6-yl)-3-methylbutan-2-one;1-[4-chloro-2-(2-chloroanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-1H-indole-3-carboxamide;1-[2-(4,5-difluoro-2-methylanilino)-7-fluoro-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[5-fluoro-2-(4-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[7-fluoro-2-(2-hydroxyanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[2-(4-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;N-[2-methoxy-4-(3-methyl-2-oxobutyl)phenyl]-1H-indole-3-carboxamide has a molecular weight of 2758.72 g/mol, XLogP of 38.64, 41 rotatable bonds, 11 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-anilino-4-chloro-1,3-benzoxazol-6-yl)-3-methylbutan-2-one;1-[4-chloro-2-(2-chloroanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-1H-indole-3-carboxamide;1-[2-(4,5-difluoro-2-methylanilino)-7-fluoro-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[5-fluoro-2-(4-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[7-fluoro-2-(2-hydroxyanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[2-(4-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;N-[2-methoxy-4-(3-methyl-2-oxobutyl)phenyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 160517627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).