1-[4-(1,3-benzoxazol-2-ylmethyl)-3-chlorophenyl]-3-methylbutan-2-one;1-[2-(1,3-benzoxazol-2-yl)-1-methylindol-5-yl]-3-methylbutan-2-one;N-[2-chloro-5-fluoro-4-(3-methyl-2-oxobutyl)phenyl]-2,3-dihydroindole-1-carboxamide;1-[3-chloro-4-[2-(1-methylindol-3-yl)-2-oxoethyl]phenyl]-3-methylbutan-2-one;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-2,3-dihydroindole-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]naphthalene-1-carboxamide;N-[7-fluoro-6-(3-methyl-2-oxobutyl)-1,3-benzoxazol-2-yl]benzamide;3-methyl-1-[5-[2-(1-methylindol-3-yl)-2-oxoethyl]-2-pyridinyl]butan-2-one

C164H160Cl5F2N13O17 — CID 159212102

About 1-[4-(1,3-benzoxazol-2-ylmethyl)-3-chlorophenyl]-3-methylbutan-2-one;1-[2-(1,3-benzoxazol-2-yl)-1-methylindol-5-yl]-3-methylbutan-2-one;N-[2-chloro-5-fluoro-4-(3-methyl-2-oxobutyl)phenyl]-2,3-dihydroindole-1-carboxamide;1-[3-chloro-4-[2-(1-methylindol-3-yl)-2-oxoethyl]phenyl]-3-methylbutan-2-one;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-2,3-dihydroindole-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]naphthalene-1-carboxamide;N-[7-fluoro-6-(3-methyl-2-oxobutyl)-1,3-benzoxazol-2-yl]benzamide;3-methyl-1-[5-[2-(1-methylindol-3-yl)-2-oxoethyl]-2-pyridinyl]butan-2-one

1-[4-(1,3-benzoxazol-2-ylmethyl)-3-chlorophenyl]-3-methylbutan-2-one;1-[2-(1,3-benzoxazol-2-yl)-1-methylindol-5-yl]-3-methylbutan-2-one;N-[2-chloro-5-fluoro-4-(3-methyl-2-oxobutyl)phenyl]-2,3-dihydroindole-1-carboxamide;1-[3-chloro-4-[2-(1-methylindol-3-yl)-2-oxoethyl]phenyl]-3-methylbutan-2-one;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-2,3-dihydroindole-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]naphthalene-1-carboxamide;N-[7-fluoro-6-(3-methyl-2-oxobutyl)-1,3-benzoxazol-2-yl]benzamide;3-methyl-1-[5-[2-(1-methylindol-3-yl)-2-oxoethyl]-2-pyridinyl]butan-2-one (PubChem CID 159212102) has the molecular formula C164H160Cl5F2N13O17 and a molecular weight of 2800.42 g/mol. Its IUPAC name is 1-[4-(1,3-benzoxazol-2-ylmethyl)-3-chlorophenyl]-3-methylbutan-2-one;1-[2-(1,3-benzoxazol-2-yl)-1-methylindol-5-yl]-3-methylbutan-2-one;N-[2-chloro-5-fluoro-4-(3-methyl-2-oxobutyl)phenyl]-2,3-dihydroindole-1-carboxamide;1-[3-chloro-4-[2-(1-methylindol-3-yl)-2-oxoethyl]phenyl]-3-methylbutan-2-one;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-2,3-dihydroindole-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]naphthalene-1-carboxamide;N-[7-fluoro-6-(3-methyl-2-oxobutyl)-1,3-benzoxazol-2-yl]benzamide;3-methyl-1-[5-[2-(1-methylindol-3-yl)-2-oxoethyl]-2-pyridinyl]butan-2-one.

Molecular Properties

• Compound Name: 1-[4-(1,3-benzoxazol-2-ylmethyl)-3-chlorophenyl]-3-methylbutan-2-one;1-[2-(1,3-benzoxazol-2-yl)-1-methylindol-5-yl]-3-methylbutan-2-one;N-[2-chloro-5-fluoro-4-(3-methyl-2-oxobutyl)phenyl]-2,3-dihydroindole-1-carboxamide;1-[3-chloro-4-[2-(1-methylindol-3-yl)-2-oxoethyl]phenyl]-3-methylbutan-2-one;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-2,3-dihydroindole-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]naphthalene-1-carboxamide;N-[7-fluoro-6-(3-methyl-2-oxobutyl)-1,3-benzoxazol-2-yl]benzamide;3-methyl-1-[5-[2-(1-methylindol-3-yl)-2-oxoethyl]-2-pyridinyl]butan-2-one
• PubChem CID: 159212102
• Molecular Formula: C164H160Cl5F2N13O17
• Molecular Weight: 2800.42 g/mol
• Exact Mass: 2796.05
• IUPAC Name: 1-[4-(1,3-benzoxazol-2-ylmethyl)-3-chlorophenyl]-3-methylbutan-2-one;1-[2-(1,3-benzoxazol-2-yl)-1-methylindol-5-yl]-3-methylbutan-2-one;N-[2-chloro-5-fluoro-4-(3-methyl-2-oxobutyl)phenyl]-2,3-dihydroindole-1-carboxamide;1-[3-chloro-4-[2-(1-methylindol-3-yl)-2-oxoethyl]phenyl]-3-methylbutan-2-one;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-2,3-dihydroindole-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]naphthalene-1-carboxamide;N-[7-fluoro-6-(3-methyl-2-oxobutyl)-1,3-benzoxazol-2-yl]benzamide;3-methyl-1-[5-[2-(1-methylindol-3-yl)-2-oxoethyl]-2-pyridinyl]butan-2-one
• SMILES: CC(C)C(=O)Cc1cc(Cl)c(NC(=O)N2CCc3ccccc32)cc1F.CC(C)C(=O)Cc1ccc(CC(=O)c2cn(C)c3ccccc23)c(Cl)c1.CC(C)C(=O)Cc1ccc(CC(=O)c2cn(C)c3ccccc23)cn1.CC(C)C(=O)Cc1ccc(Cc2nc3ccccc3o2)c(Cl)c1.CC(C)C(=O)Cc1ccc(NC(=O)N2CCc3ccccc32)c(Cl)c1.CC(C)C(=O)Cc1ccc(NC(=O)c2cccc3ccccc23)c(Cl)c1.CC(C)C(=O)Cc1ccc2c(c1)cc(-c1nc3ccccc3o1)n2C.CC(C)C(=O)Cc1ccc2nc(NC(=O)c3ccccc3)oc2c1F
• InChI: InChI=1S/C22H22ClNO2.C22H20ClNO2.C21H20N2O2.C21H22N2O2.C20H20ClFN2O2.C20H21ClN2O2.C19H18ClNO2.C19H17FN2O3/c1-14(2)21(25)11-15-8-9-16(19(23)10-15)12-22(26)18-13-24(3)20-7-5-4-6-17(18)20;1-14(2)21(25)13-15-10-11-20(19(23)12-15)24-22(26)18-9-5-7-16-6-3-4-8-17(16)18;1-13(2)19(24)11-14-8-9-17-15(10-14)12-18(23(17)3)21-22-16-6-4-5-7-20(16)25-21;1-14(2)20(24)11-16-9-8-15(12-22-16)10-21(25)18-13-23(3)19-7-5-4-6-17(18)19;1-12(2)19(25)10-14-9-15(21)17(11-16(14)22)23-20(26)24-8-7-13-5-3-4-6-18(13)24;1-13(2)19(24)12-14-7-8-17(16(21)11-14)22-20(25)23-10-9-15-5-3-4-6-18(15)23;1-12(2)17(22)10-13-7-8-14(15(20)9-13)11-19-21-16-5-3-4-6-18(16)23-19;1-11(2)15(23)10-13-8-9-14-17(16(13)20)25-19(21-14)22-18(24)12-6-4-3-5-7-12/h4-10,13-14H,11-12H2,1-3H3;3-12,14H,13H2,1-2H3,(H,24,26);4-10,12-13H,11H2,1-3H3;4-9,12-14H,10-11H2,1-3H3;3-6,9,11-12H,7-8,10H2,1-2H3,(H,23,26);3-8,11,13H,9-10,12H2,1-2H3,(H,22,25);3-9,12H,10-11H2,1-2H3;3-9,11H,10H2,1-2H3,(H,21,22,24)
• InChIKey: KQPRLFLGUWWQNP-UHFFFAOYSA-N
• XLogP: 37.43
• TPSA: 399.35 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 39
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2800.42
LogP ≤ 5	37.43
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-benzoxazol-2-ylmethyl)-3-chlorophenyl]-3-methylbutan-2-one;1-[2-(1,3-benzoxazol-2-yl)-1-methylindol-5-yl]-3-methylbutan-2-one;N-[2-chloro-5-fluoro-4-(3-methyl-2-oxobutyl)phenyl]-2,3-dihydroindole-1-carboxamide;1-[3-chloro-4-[2-(1-methylindol-3-yl)-2-oxoethyl]phenyl]-3-methylbutan-2-one;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-2,3-dihydroindole-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]naphthalene-1-carboxamide;N-[7-fluoro-6-(3-methyl-2-oxobutyl)-1,3-benzoxazol-2-yl]benzamide;3-methyl-1-[5-[2-(1-methylindol-3-yl)-2-oxoethyl]-2-pyridinyl]butan-2-one?

The IUPAC name of 1-[4-(1,3-benzoxazol-2-ylmethyl)-3-chlorophenyl]-3-methylbutan-2-one;1-[2-(1,3-benzoxazol-2-yl)-1-methylindol-5-yl]-3-methylbutan-2-one;N-[2-chloro-5-fluoro-4-(3-methyl-2-oxobutyl)phenyl]-2,3-dihydroindole-1-carboxamide;1-[3-chloro-4-[2-(1-methylindol-3-yl)-2-oxoethyl]phenyl]-3-methylbutan-2-one;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-2,3-dihydroindole-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]naphthalene-1-carboxamide;N-[7-fluoro-6-(3-methyl-2-oxobutyl)-1,3-benzoxazol-2-yl]benzamide;3-methyl-1-[5-[2-(1-methylindol-3-yl)-2-oxoethyl]-2-pyridinyl]butan-2-one (CID 159212102) is 1-[4-(1,3-benzoxazol-2-ylmethyl)-3-chlorophenyl]-3-methylbutan-2-one;1-[2-(1,3-benzoxazol-2-yl)-1-methylindol-5-yl]-3-methylbutan-2-one;N-[2-chloro-5-fluoro-4-(3-methyl-2-oxobutyl)phenyl]-2,3-dihydroindole-1-carboxamide;1-[3-chloro-4-[2-(1-methylindol-3-yl)-2-oxoethyl]phenyl]-3-methylbutan-2-one;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-2,3-dihydroindole-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]naphthalene-1-carboxamide;N-[7-fluoro-6-(3-methyl-2-oxobutyl)-1,3-benzoxazol-2-yl]benzamide;3-methyl-1-[5-[2-(1-methylindol-3-yl)-2-oxoethyl]-2-pyridinyl]butan-2-one.

What is the SMILES notation for 1-[4-(1,3-benzoxazol-2-ylmethyl)-3-chlorophenyl]-3-methylbutan-2-one;1-[2-(1,3-benzoxazol-2-yl)-1-methylindol-5-yl]-3-methylbutan-2-one;N-[2-chloro-5-fluoro-4-(3-methyl-2-oxobutyl)phenyl]-2,3-dihydroindole-1-carboxamide;1-[3-chloro-4-[2-(1-methylindol-3-yl)-2-oxoethyl]phenyl]-3-methylbutan-2-one;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-2,3-dihydroindole-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]naphthalene-1-carboxamide;N-[7-fluoro-6-(3-methyl-2-oxobutyl)-1,3-benzoxazol-2-yl]benzamide;3-methyl-1-[5-[2-(1-methylindol-3-yl)-2-oxoethyl]-2-pyridinyl]butan-2-one?

The canonical SMILES for 1-[4-(1,3-benzoxazol-2-ylmethyl)-3-chlorophenyl]-3-methylbutan-2-one;1-[2-(1,3-benzoxazol-2-yl)-1-methylindol-5-yl]-3-methylbutan-2-one;N-[2-chloro-5-fluoro-4-(3-methyl-2-oxobutyl)phenyl]-2,3-dihydroindole-1-carboxamide;1-[3-chloro-4-[2-(1-methylindol-3-yl)-2-oxoethyl]phenyl]-3-methylbutan-2-one;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-2,3-dihydroindole-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]naphthalene-1-carboxamide;N-[7-fluoro-6-(3-methyl-2-oxobutyl)-1,3-benzoxazol-2-yl]benzamide;3-methyl-1-[5-[2-(1-methylindol-3-yl)-2-oxoethyl]-2-pyridinyl]butan-2-one is CC(C)C(=O)Cc1cc(Cl)c(NC(=O)N2CCc3ccccc32)cc1F.CC(C)C(=O)Cc1ccc(CC(=O)c2cn(C)c3ccccc23)c(Cl)c1.CC(C)C(=O)Cc1ccc(CC(=O)c2cn(C)c3ccccc23)cn1.CC(C)C(=O)Cc1ccc(Cc2nc3ccccc3o2)c(Cl)c1.CC(C)C(=O)Cc1ccc(NC(=O)N2CCc3ccccc32)c(Cl)c1.CC(C)C(=O)Cc1ccc(NC(=O)c2cccc3ccccc23)c(Cl)c1.CC(C)C(=O)Cc1ccc2c(c1)cc(-c1nc3ccccc3o1)n2C.CC(C)C(=O)Cc1ccc2nc(NC(=O)c3ccccc3)oc2c1F.

What is the InChIKey of 1-[4-(1,3-benzoxazol-2-ylmethyl)-3-chlorophenyl]-3-methylbutan-2-one;1-[2-(1,3-benzoxazol-2-yl)-1-methylindol-5-yl]-3-methylbutan-2-one;N-[2-chloro-5-fluoro-4-(3-methyl-2-oxobutyl)phenyl]-2,3-dihydroindole-1-carboxamide;1-[3-chloro-4-[2-(1-methylindol-3-yl)-2-oxoethyl]phenyl]-3-methylbutan-2-one;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-2,3-dihydroindole-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]naphthalene-1-carboxamide;N-[7-fluoro-6-(3-methyl-2-oxobutyl)-1,3-benzoxazol-2-yl]benzamide;3-methyl-1-[5-[2-(1-methylindol-3-yl)-2-oxoethyl]-2-pyridinyl]butan-2-one?

The InChIKey is KQPRLFLGUWWQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClNO2.C22H20ClNO2.C21H20N2O2.C21H22N2O2.C20H20ClFN2O2.C20H21ClN2O2.C19H18ClNO2.C19H17FN2O3/c1-14(2)21(25)11-15-8-9-16(19(23)10-15)12-22(26)18-13-24(3)20-7-5-4-6-17(18)20;1-14(2)21(25)13-15-10-11-20(19(23)12-15)24-22(26)18-9-5-7-16-6-3-4-8-17(16)18;1-13(2)19(24)11-14-8-9-17-15(10-14)12-18(23(17)3)21-22-16-6-4-5-7-20(16)25-21;1-14(2)20(24)11-16-9-8-15(12-22-16)10-21(25)18-13-23(3)19-7-5-4-6-17(18)19;1-12(2)19(25)10-14-9-15(21)17(11-16(14)22)23-20(26)24-8-7-13-5-3-4-6-18(13)24;1-13(2)19(24)12-14-7-8-17(16(21)11-14)22-20(25)23-10-9-15-5-3-4-6-18(15)23;1-12(2)17(22)10-13-7-8-14(15(20)9-13)11-19-21-16-5-3-4-6-18(16)23-19;1-11(2)15(23)10-13-8-9-14-17(16(13)20)25-19(21-14)22-18(24)12-6-4-3-5-7-12/h4-10,13-14H,11-12H2,1-3H3;3-12,14H,13H2,1-2H3,(H,24,26);4-10,12-13H,11H2,1-3H3;4-9,12-14H,10-11H2,1-3H3;3-6,9,11-12H,7-8,10H2,1-2H3,(H,23,26);3-8,11,13H,9-10,12H2,1-2H3,(H,22,25);3-9,12H,10-11H2,1-2H3;3-9,11H,10H2,1-2H3,(H,21,22,24).

What are the key properties of 1-[4-(1,3-benzoxazol-2-ylmethyl)-3-chlorophenyl]-3-methylbutan-2-one;1-[2-(1,3-benzoxazol-2-yl)-1-methylindol-5-yl]-3-methylbutan-2-one;N-[2-chloro-5-fluoro-4-(3-methyl-2-oxobutyl)phenyl]-2,3-dihydroindole-1-carboxamide;1-[3-chloro-4-[2-(1-methylindol-3-yl)-2-oxoethyl]phenyl]-3-methylbutan-2-one;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-2,3-dihydroindole-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]naphthalene-1-carboxamide;N-[7-fluoro-6-(3-methyl-2-oxobutyl)-1,3-benzoxazol-2-yl]benzamide;3-methyl-1-[5-[2-(1-methylindol-3-yl)-2-oxoethyl]-2-pyridinyl]butan-2-one?

1-[4-(1,3-benzoxazol-2-ylmethyl)-3-chlorophenyl]-3-methylbutan-2-one;1-[2-(1,3-benzoxazol-2-yl)-1-methylindol-5-yl]-3-methylbutan-2-one;N-[2-chloro-5-fluoro-4-(3-methyl-2-oxobutyl)phenyl]-2,3-dihydroindole-1-carboxamide;1-[3-chloro-4-[2-(1-methylindol-3-yl)-2-oxoethyl]phenyl]-3-methylbutan-2-one;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-2,3-dihydroindole-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]naphthalene-1-carboxamide;N-[7-fluoro-6-(3-methyl-2-oxobutyl)-1,3-benzoxazol-2-yl]benzamide;3-methyl-1-[5-[2-(1-methylindol-3-yl)-2-oxoethyl]-2-pyridinyl]butan-2-one has a molecular weight of 2800.42 g/mol, XLogP of 37.43, 39 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(1,3-benzoxazol-2-ylmethyl)-3-chlorophenyl]-3-methylbutan-2-one;1-[2-(1,3-benzoxazol-2-yl)-1-methylindol-5-yl]-3-methylbutan-2-one;N-[2-chloro-5-fluoro-4-(3-methyl-2-oxobutyl)phenyl]-2,3-dihydroindole-1-carboxamide;1-[3-chloro-4-[2-(1-methylindol-3-yl)-2-oxoethyl]phenyl]-3-methylbutan-2-one;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-2,3-dihydroindole-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]naphthalene-1-carboxamide;N-[7-fluoro-6-(3-methyl-2-oxobutyl)-1,3-benzoxazol-2-yl]benzamide;3-methyl-1-[5-[2-(1-methylindol-3-yl)-2-oxoethyl]-2-pyridinyl]butan-2-one is sourced from PubChem (CID 159212102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).