About 1-[2-(2-bromoanilino)-7-fluoro-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[2-(2-chloroanilino)-7-fluoro-4-methoxy-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[2-(2-chloroanilino)-4-methoxy-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[5-fluoro-2-(5-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[5-fluoro-2-(2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;N-[2-methyl-4-(3-methyl-2-oxobutyl)phenyl]-1H-indole-3-carboxamide;N-[4-(3-methyl-2-oxobutyl)phenyl]-1H-indole-3-carboxamide
1-[2-(2-bromoanilino)-7-fluoro-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[2-(2-chloroanilino)-7-fluoro-4-methoxy-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[2-(2-chloroanilino)-4-methoxy-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[5-fluoro-2-(5-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[5-fluoro-2-(2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;N-[2-methyl-4-(3-methyl-2-oxobutyl)phenyl]-1H-indole-3-carboxamide;N-[4-(3-methyl-2-oxobutyl)phenyl]-1H-indole-3-carboxamide (PubChem CID 158307803) has the molecular formula C135H132BrCl2F5N14O16
and a molecular weight of 2452.42 g/mol. Its IUPAC name is 1-[2-(2-bromoanilino)-7-fluoro-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[2-(2-chloroanilino)-7-fluoro-4-methoxy-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[2-(2-chloroanilino)-4-methoxy-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[5-fluoro-2-(5-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[5-fluoro-2-(2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;N-[2-methyl-4-(3-methyl-2-oxobutyl)phenyl]-1H-indole-3-carboxamide;N-[4-(3-methyl-2-oxobutyl)phenyl]-1H-indole-3-carboxamide.
Frequently Asked Questions
What is the IUPAC name of 1-[2-(2-bromoanilino)-7-fluoro-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[2-(2-chloroanilino)-7-fluoro-4-methoxy-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[2-(2-chloroanilino)-4-methoxy-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[5-fluoro-2-(5-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[5-fluoro-2-(2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;N-[2-methyl-4-(3-methyl-2-oxobutyl)phenyl]-1H-indole-3-carboxamide;N-[4-(3-methyl-2-oxobutyl)phenyl]-1H-indole-3-carboxamide?
The IUPAC name of 1-[2-(2-bromoanilino)-7-fluoro-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[2-(2-chloroanilino)-7-fluoro-4-methoxy-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[2-(2-chloroanilino)-4-methoxy-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[5-fluoro-2-(5-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[5-fluoro-2-(2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;N-[2-methyl-4-(3-methyl-2-oxobutyl)phenyl]-1H-indole-3-carboxamide;N-[4-(3-methyl-2-oxobutyl)phenyl]-1H-indole-3-carboxamide (CID 158307803) is 1-[2-(2-bromoanilino)-7-fluoro-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[2-(2-chloroanilino)-7-fluoro-4-methoxy-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[2-(2-chloroanilino)-4-methoxy-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[5-fluoro-2-(5-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[5-fluoro-2-(2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;N-[2-methyl-4-(3-methyl-2-oxobutyl)phenyl]-1H-indole-3-carboxamide;N-[4-(3-methyl-2-oxobutyl)phenyl]-1H-indole-3-carboxamide.
What is the SMILES notation for 1-[2-(2-bromoanilino)-7-fluoro-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[2-(2-chloroanilino)-7-fluoro-4-methoxy-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[2-(2-chloroanilino)-4-methoxy-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[5-fluoro-2-(5-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[5-fluoro-2-(2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;N-[2-methyl-4-(3-methyl-2-oxobutyl)phenyl]-1H-indole-3-carboxamide;N-[4-(3-methyl-2-oxobutyl)phenyl]-1H-indole-3-carboxamide?
The canonical SMILES for 1-[2-(2-bromoanilino)-7-fluoro-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[2-(2-chloroanilino)-7-fluoro-4-methoxy-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[2-(2-chloroanilino)-4-methoxy-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[5-fluoro-2-(5-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[5-fluoro-2-(2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;N-[2-methyl-4-(3-methyl-2-oxobutyl)phenyl]-1H-indole-3-carboxamide;N-[4-(3-methyl-2-oxobutyl)phenyl]-1H-indole-3-carboxamide is CC(C)C(=O)Cc1ccc(NC(=O)c2c[nH]c3ccccc23)cc1.CC(C)C(=O)Cc1ccc2nc(Nc3ccccc3Br)oc2c1F.COc1cc(CC(=O)C(C)C)c(F)c2oc(Nc3ccccc3Cl)nc12.COc1cc(CC(=O)C(C)C)cc2oc(Nc3ccccc3Cl)nc12.Cc1cc(CC(=O)C(C)C)ccc1NC(=O)c1c[nH]c2ccccc12.Cc1ccc(F)cc1Nc1nc2cc(F)c(CC(=O)C(C)C)cc2o1.Cc1ccccc1Nc1nc2cc(F)c(CC(=O)C(C)C)cc2o1.
What is the InChIKey of 1-[2-(2-bromoanilino)-7-fluoro-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[2-(2-chloroanilino)-7-fluoro-4-methoxy-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[2-(2-chloroanilino)-4-methoxy-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[5-fluoro-2-(5-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[5-fluoro-2-(2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;N-[2-methyl-4-(3-methyl-2-oxobutyl)phenyl]-1H-indole-3-carboxamide;N-[4-(3-methyl-2-oxobutyl)phenyl]-1H-indole-3-carboxamide?
The InChIKey is GNHOEAIBBWQBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2.C20H20N2O2.C19H18ClFN2O3.C19H19ClN2O3.C19H18F2N2O2.C19H19FN2O2.C18H16BrFN2O2/c1-13(2)20(24)11-15-8-9-18(14(3)10-15)23-21(25)17-12-22-19-7-5-4-6-16(17)19;1-13(2)19(23)11-14-7-9-15(10-8-14)22-20(24)17-12-21-18-6-4-3-5-16(17)18;1-10(2)14(24)8-11-9-15(25-3)17-18(16(11)21)26-19(23-17)22-13-7-5-4-6-12(13)20;1-11(2)15(23)8-12-9-16(24-3)18-17(10-12)25-19(22-18)21-14-7-5-4-6-13(14)20;1-10(2)17(24)6-12-7-18-16(9-14(12)21)23-19(25-18)22-15-8-13(20)5-4-11(15)3;1-11(2)17(23)8-13-9-18-16(10-14(13)20)22-19(24-18)21-15-7-5-4-6-12(15)3;1-10(2)15(23)9-11-7-8-14-17(16(11)20)24-18(22-14)21-13-6-4-3-5-12(13)19/h4-10,12-13,22H,11H2,1-3H3,(H,23,25);3-10,12-13,21H,11H2,1-2H3,(H,22,24);4-7,9-10H,8H2,1-3H3,(H,22,23);4-7,9-11H,8H2,1-3H3,(H,21,22);4-5,7-10H,6H2,1-3H3,(H,22,23);4-7,9-11H,8H2,1-3H3,(H,21,22);3-8,10H,9H2,1-2H3,(H,21,22).
What are the key properties of 1-[2-(2-bromoanilino)-7-fluoro-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[2-(2-chloroanilino)-7-fluoro-4-methoxy-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[2-(2-chloroanilino)-4-methoxy-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[5-fluoro-2-(5-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[5-fluoro-2-(2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;N-[2-methyl-4-(3-methyl-2-oxobutyl)phenyl]-1H-indole-3-carboxamide;N-[4-(3-methyl-2-oxobutyl)phenyl]-1H-indole-3-carboxamide?
1-[2-(2-bromoanilino)-7-fluoro-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[2-(2-chloroanilino)-7-fluoro-4-methoxy-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[2-(2-chloroanilino)-4-methoxy-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[5-fluoro-2-(5-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[5-fluoro-2-(2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;N-[2-methyl-4-(3-methyl-2-oxobutyl)phenyl]-1H-indole-3-carboxamide;N-[4-(3-methyl-2-oxobutyl)phenyl]-1H-indole-3-carboxamide has a molecular weight of 2452.42 g/mol, XLogP of 33.78, 37 rotatable bonds, 9 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromoanilino)-7-fluoro-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[2-(2-chloroanilino)-7-fluoro-4-methoxy-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[2-(2-chloroanilino)-4-methoxy-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[5-fluoro-2-(5-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;1-[5-fluoro-2-(2-methylanilino)-1,3-benzoxazol-6-yl]-3-methylbutan-2-one;N-[2-methyl-4-(3-methyl-2-oxobutyl)phenyl]-1H-indole-3-carboxamide;N-[4-(3-methyl-2-oxobutyl)phenyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 158307803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).