1-[5-chloro-2-fluoro-4-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-methylbutan-2-one;N-[2-chloro-5-fluoro-4-(3-methyl-2-oxobutyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-7-fluoro-3,4-dihydro-2H-quinoline-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-1-methylindole-2-carboxamide;bis(1-[1-(6-fluoro-1-methylindole-3-carbonyl)-2,3-dihydroindol-5-yl]-3-methylbutan-2-one);N-[7-fluoro-6-(3-methyl-2-oxobutyl)-1,3-benzoxazol-2-yl]pyridine-3-carboxamide;1-methyl-N-[4-(3-methyl-2-oxobutyl)phenyl]indole-2-carboxamide

C167H165Cl4F7N16O17 — CID 158448387

About 1-[5-chloro-2-fluoro-4-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-methylbutan-2-one;N-[2-chloro-5-fluoro-4-(3-methyl-2-oxobutyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-7-fluoro-3,4-dihydro-2H-quinoline-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-1-methylindole-2-carboxamide;bis(1-[1-(6-fluoro-1-methylindole-3-carbonyl)-2,3-dihydroindol-5-yl]-3-methylbutan-2-one);N-[7-fluoro-6-(3-methyl-2-oxobutyl)-1,3-benzoxazol-2-yl]pyridine-3-carboxamide;1-methyl-N-[4-(3-methyl-2-oxobutyl)phenyl]indole-2-carboxamide

1-[5-chloro-2-fluoro-4-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-methylbutan-2-one;N-[2-chloro-5-fluoro-4-(3-methyl-2-oxobutyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-7-fluoro-3,4-dihydro-2H-quinoline-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-1-methylindole-2-carboxamide;bis(1-[1-(6-fluoro-1-methylindole-3-carbonyl)-2,3-dihydroindol-5-yl]-3-methylbutan-2-one);N-[7-fluoro-6-(3-methyl-2-oxobutyl)-1,3-benzoxazol-2-yl]pyridine-3-carboxamide;1-methyl-N-[4-(3-methyl-2-oxobutyl)phenyl]indole-2-carboxamide (PubChem CID 158448387) has the molecular formula C167H165Cl4F7N16O17 and a molecular weight of 2943.05 g/mol. Its IUPAC name is 1-[5-chloro-2-fluoro-4-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-methylbutan-2-one;N-[2-chloro-5-fluoro-4-(3-methyl-2-oxobutyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-7-fluoro-3,4-dihydro-2H-quinoline-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-1-methylindole-2-carboxamide;bis(1-[1-(6-fluoro-1-methylindole-3-carbonyl)-2,3-dihydroindol-5-yl]-3-methylbutan-2-one);N-[7-fluoro-6-(3-methyl-2-oxobutyl)-1,3-benzoxazol-2-yl]pyridine-3-carboxamide;1-methyl-N-[4-(3-methyl-2-oxobutyl)phenyl]indole-2-carboxamide.

Molecular Properties

• Compound Name: 1-[5-chloro-2-fluoro-4-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-methylbutan-2-one;N-[2-chloro-5-fluoro-4-(3-methyl-2-oxobutyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-7-fluoro-3,4-dihydro-2H-quinoline-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-1-methylindole-2-carboxamide;bis(1-[1-(6-fluoro-1-methylindole-3-carbonyl)-2,3-dihydroindol-5-yl]-3-methylbutan-2-one);N-[7-fluoro-6-(3-methyl-2-oxobutyl)-1,3-benzoxazol-2-yl]pyridine-3-carboxamide;1-methyl-N-[4-(3-methyl-2-oxobutyl)phenyl]indole-2-carboxamide
• PubChem CID: 158448387
• Molecular Formula: C167H165Cl4F7N16O17
• Molecular Weight: 2943.05 g/mol
• Exact Mass: 2939.12
• IUPAC Name: 1-[5-chloro-2-fluoro-4-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-methylbutan-2-one;N-[2-chloro-5-fluoro-4-(3-methyl-2-oxobutyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-7-fluoro-3,4-dihydro-2H-quinoline-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-1-methylindole-2-carboxamide;bis(1-[1-(6-fluoro-1-methylindole-3-carbonyl)-2,3-dihydroindol-5-yl]-3-methylbutan-2-one);N-[7-fluoro-6-(3-methyl-2-oxobutyl)-1,3-benzoxazol-2-yl]pyridine-3-carboxamide;1-methyl-N-[4-(3-methyl-2-oxobutyl)phenyl]indole-2-carboxamide
• SMILES: CC(C)C(=O)Cc1cc(Cl)c(Cc2nc3cc(F)ccc3o2)cc1F.CC(C)C(=O)Cc1cc(Cl)c(NC(=O)N2CCCc3ccccc32)cc1F.CC(C)C(=O)Cc1ccc(NC(=O)N2CCCc3ccc(F)cc32)c(Cl)c1.CC(C)C(=O)Cc1ccc(NC(=O)c2cc3ccccc3n2C)c(Cl)c1.CC(C)C(=O)Cc1ccc(NC(=O)c2cc3ccccc3n2C)cc1.CC(C)C(=O)Cc1ccc2c(c1)CCN2C(=O)c1cn(C)c2cc(F)ccc12.CC(C)C(=O)Cc1ccc2c(c1)CCN2C(=O)c1cn(C)c2cc(F)ccc12.CC(C)C(=O)Cc1ccc2nc(NC(=O)c3cccnc3)oc2c1F
• InChI: InChI=1S/2C23H23FN2O2.2C21H22ClFN2O2.C21H21ClN2O2.C21H22N2O2.C19H16ClF2NO2.C18H16FN3O3/c2*1-14(2)22(27)11-15-4-7-20-16(10-15)8-9-26(20)23(28)19-13-25(3)21-12-17(24)5-6-18(19)21;1-13(2)20(26)11-14-5-8-18(17(22)10-14)24-21(27)25-9-3-4-15-6-7-16(23)12-19(15)25;1-13(2)20(26)11-15-10-16(22)18(12-17(15)23)24-21(27)25-9-5-7-14-6-3-4-8-19(14)25;1-13(2)20(25)11-14-8-9-17(16(22)10-14)23-21(26)19-12-15-6-4-5-7-18(15)24(19)3;1-14(2)20(24)12-15-8-10-17(11-9-15)22-21(25)19-13-16-6-4-5-7-18(16)23(19)3;1-10(2)17(24)7-12-5-14(20)11(6-15(12)22)8-19-23-16-9-13(21)3-4-18(16)25-19;1-10(2)14(23)8-11-5-6-13-16(15(11)19)25-18(21-13)22-17(24)12-4-3-7-20-9-12/h2*4-7,10,12-14H,8-9,11H2,1-3H3;5-8,10,12-13H,3-4,9,11H2,1-2H3,(H,24,27);3-4,6,8,10,12-13H,5,7,9,11H2,1-2H3,(H,24,27);4-10,12-13H,11H2,1-3H3,(H,23,26);4-11,13-14H,12H2,1-3H3,(H,22,25);3-6,9-10H,7-8H2,1-2H3;3-7,9-10H,8H2,1-2H3,(H,21,22,24)
• InChIKey: HDRFCQCRSXSBHB-UHFFFAOYSA-N
• XLogP: 36.59
• TPSA: 413.83 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 36
• Heavy Atoms: 211
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2943.05
LogP ≤ 5	36.59
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-fluoro-4-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-methylbutan-2-one;N-[2-chloro-5-fluoro-4-(3-methyl-2-oxobutyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-7-fluoro-3,4-dihydro-2H-quinoline-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-1-methylindole-2-carboxamide;bis(1-[1-(6-fluoro-1-methylindole-3-carbonyl)-2,3-dihydroindol-5-yl]-3-methylbutan-2-one);N-[7-fluoro-6-(3-methyl-2-oxobutyl)-1,3-benzoxazol-2-yl]pyridine-3-carboxamide;1-methyl-N-[4-(3-methyl-2-oxobutyl)phenyl]indole-2-carboxamide?

The IUPAC name of 1-[5-chloro-2-fluoro-4-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-methylbutan-2-one;N-[2-chloro-5-fluoro-4-(3-methyl-2-oxobutyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-7-fluoro-3,4-dihydro-2H-quinoline-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-1-methylindole-2-carboxamide;bis(1-[1-(6-fluoro-1-methylindole-3-carbonyl)-2,3-dihydroindol-5-yl]-3-methylbutan-2-one);N-[7-fluoro-6-(3-methyl-2-oxobutyl)-1,3-benzoxazol-2-yl]pyridine-3-carboxamide;1-methyl-N-[4-(3-methyl-2-oxobutyl)phenyl]indole-2-carboxamide (CID 158448387) is 1-[5-chloro-2-fluoro-4-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-methylbutan-2-one;N-[2-chloro-5-fluoro-4-(3-methyl-2-oxobutyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-7-fluoro-3,4-dihydro-2H-quinoline-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-1-methylindole-2-carboxamide;bis(1-[1-(6-fluoro-1-methylindole-3-carbonyl)-2,3-dihydroindol-5-yl]-3-methylbutan-2-one);N-[7-fluoro-6-(3-methyl-2-oxobutyl)-1,3-benzoxazol-2-yl]pyridine-3-carboxamide;1-methyl-N-[4-(3-methyl-2-oxobutyl)phenyl]indole-2-carboxamide.

What is the SMILES notation for 1-[5-chloro-2-fluoro-4-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-methylbutan-2-one;N-[2-chloro-5-fluoro-4-(3-methyl-2-oxobutyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-7-fluoro-3,4-dihydro-2H-quinoline-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-1-methylindole-2-carboxamide;bis(1-[1-(6-fluoro-1-methylindole-3-carbonyl)-2,3-dihydroindol-5-yl]-3-methylbutan-2-one);N-[7-fluoro-6-(3-methyl-2-oxobutyl)-1,3-benzoxazol-2-yl]pyridine-3-carboxamide;1-methyl-N-[4-(3-methyl-2-oxobutyl)phenyl]indole-2-carboxamide?

The canonical SMILES for 1-[5-chloro-2-fluoro-4-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-methylbutan-2-one;N-[2-chloro-5-fluoro-4-(3-methyl-2-oxobutyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-7-fluoro-3,4-dihydro-2H-quinoline-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-1-methylindole-2-carboxamide;bis(1-[1-(6-fluoro-1-methylindole-3-carbonyl)-2,3-dihydroindol-5-yl]-3-methylbutan-2-one);N-[7-fluoro-6-(3-methyl-2-oxobutyl)-1,3-benzoxazol-2-yl]pyridine-3-carboxamide;1-methyl-N-[4-(3-methyl-2-oxobutyl)phenyl]indole-2-carboxamide is CC(C)C(=O)Cc1cc(Cl)c(Cc2nc3cc(F)ccc3o2)cc1F.CC(C)C(=O)Cc1cc(Cl)c(NC(=O)N2CCCc3ccccc32)cc1F.CC(C)C(=O)Cc1ccc(NC(=O)N2CCCc3ccc(F)cc32)c(Cl)c1.CC(C)C(=O)Cc1ccc(NC(=O)c2cc3ccccc3n2C)c(Cl)c1.CC(C)C(=O)Cc1ccc(NC(=O)c2cc3ccccc3n2C)cc1.CC(C)C(=O)Cc1ccc2c(c1)CCN2C(=O)c1cn(C)c2cc(F)ccc12.CC(C)C(=O)Cc1ccc2c(c1)CCN2C(=O)c1cn(C)c2cc(F)ccc12.CC(C)C(=O)Cc1ccc2nc(NC(=O)c3cccnc3)oc2c1F.

What is the InChIKey of 1-[5-chloro-2-fluoro-4-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-methylbutan-2-one;N-[2-chloro-5-fluoro-4-(3-methyl-2-oxobutyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-7-fluoro-3,4-dihydro-2H-quinoline-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-1-methylindole-2-carboxamide;bis(1-[1-(6-fluoro-1-methylindole-3-carbonyl)-2,3-dihydroindol-5-yl]-3-methylbutan-2-one);N-[7-fluoro-6-(3-methyl-2-oxobutyl)-1,3-benzoxazol-2-yl]pyridine-3-carboxamide;1-methyl-N-[4-(3-methyl-2-oxobutyl)phenyl]indole-2-carboxamide?

The InChIKey is HDRFCQCRSXSBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H23FN2O2.2C21H22ClFN2O2.C21H21ClN2O2.C21H22N2O2.C19H16ClF2NO2.C18H16FN3O3/c2*1-14(2)22(27)11-15-4-7-20-16(10-15)8-9-26(20)23(28)19-13-25(3)21-12-17(24)5-6-18(19)21;1-13(2)20(26)11-14-5-8-18(17(22)10-14)24-21(27)25-9-3-4-15-6-7-16(23)12-19(15)25;1-13(2)20(26)11-15-10-16(22)18(12-17(15)23)24-21(27)25-9-5-7-14-6-3-4-8-19(14)25;1-13(2)20(25)11-14-8-9-17(16(22)10-14)23-21(26)19-12-15-6-4-5-7-18(15)24(19)3;1-14(2)20(24)12-15-8-10-17(11-9-15)22-21(25)19-13-16-6-4-5-7-18(16)23(19)3;1-10(2)17(24)7-12-5-14(20)11(6-15(12)22)8-19-23-16-9-13(21)3-4-18(16)25-19;1-10(2)14(23)8-11-5-6-13-16(15(11)19)25-18(21-13)22-17(24)12-4-3-7-20-9-12/h2*4-7,10,12-14H,8-9,11H2,1-3H3;5-8,10,12-13H,3-4,9,11H2,1-2H3,(H,24,27);3-4,6,8,10,12-13H,5,7,9,11H2,1-2H3,(H,24,27);4-10,12-13H,11H2,1-3H3,(H,23,26);4-11,13-14H,12H2,1-3H3,(H,22,25);3-6,9-10H,7-8H2,1-2H3;3-7,9-10H,8H2,1-2H3,(H,21,22,24).

What are the key properties of 1-[5-chloro-2-fluoro-4-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-methylbutan-2-one;N-[2-chloro-5-fluoro-4-(3-methyl-2-oxobutyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-7-fluoro-3,4-dihydro-2H-quinoline-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-1-methylindole-2-carboxamide;bis(1-[1-(6-fluoro-1-methylindole-3-carbonyl)-2,3-dihydroindol-5-yl]-3-methylbutan-2-one);N-[7-fluoro-6-(3-methyl-2-oxobutyl)-1,3-benzoxazol-2-yl]pyridine-3-carboxamide;1-methyl-N-[4-(3-methyl-2-oxobutyl)phenyl]indole-2-carboxamide?

1-[5-chloro-2-fluoro-4-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-methylbutan-2-one;N-[2-chloro-5-fluoro-4-(3-methyl-2-oxobutyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-7-fluoro-3,4-dihydro-2H-quinoline-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-1-methylindole-2-carboxamide;bis(1-[1-(6-fluoro-1-methylindole-3-carbonyl)-2,3-dihydroindol-5-yl]-3-methylbutan-2-one);N-[7-fluoro-6-(3-methyl-2-oxobutyl)-1,3-benzoxazol-2-yl]pyridine-3-carboxamide;1-methyl-N-[4-(3-methyl-2-oxobutyl)phenyl]indole-2-carboxamide has a molecular weight of 2943.05 g/mol, XLogP of 36.59, 36 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-chloro-2-fluoro-4-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-methylbutan-2-one;N-[2-chloro-5-fluoro-4-(3-methyl-2-oxobutyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-7-fluoro-3,4-dihydro-2H-quinoline-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-1-methylindole-2-carboxamide;bis(1-[1-(6-fluoro-1-methylindole-3-carbonyl)-2,3-dihydroindol-5-yl]-3-methylbutan-2-one);N-[7-fluoro-6-(3-methyl-2-oxobutyl)-1,3-benzoxazol-2-yl]pyridine-3-carboxamide;1-methyl-N-[4-(3-methyl-2-oxobutyl)phenyl]indole-2-carboxamide is sourced from PubChem (CID 158448387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).