1-[2-(2,6-dichloroanilino)phenyl]-3-methylbutan-2-one;1-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)-3-methylbutan-2-one;1-(4,5-diphenyl-1,3-oxazol-2-yl)-4-methylpentan-3-one;1-[(3Z)-6-fluoro-2-methyl-3-[[4-[methyl(methylidene)-λ4-sulfanyl]phenyl]methylidene]inden-1-yl]-3-methylbutan-2-one;1-[5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]-3-methylbutan-2-one;[7-(3-methylbut-1-en-2-yl)-6,7-dihydro-5H-pyrrolizin-3-yl]-phenylmethanone;3-methyl-1-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]butan-2-one;2-[[4-(4-methyl-3-oxopentan-2-yl)phenyl]methyl]cyclopentan-1-one

C160H181Cl2FN6O14S — CID 160832254

About 1-[2-(2,6-dichloroanilino)phenyl]-3-methylbutan-2-one;1-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)-3-methylbutan-2-one;1-(4,5-diphenyl-1,3-oxazol-2-yl)-4-methylpentan-3-one;1-[(3Z)-6-fluoro-2-methyl-3-[[4-[methyl(methylidene)-λ4-sulfanyl]phenyl]methylidene]inden-1-yl]-3-methylbutan-2-one;1-[5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]-3-methylbutan-2-one;[7-(3-methylbut-1-en-2-yl)-6,7-dihydro-5H-pyrrolizin-3-yl]-phenylmethanone;3-methyl-1-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]butan-2-one;2-[[4-(4-methyl-3-oxopentan-2-yl)phenyl]methyl]cyclopentan-1-one

1-[2-(2,6-dichloroanilino)phenyl]-3-methylbutan-2-one;1-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)-3-methylbutan-2-one;1-(4,5-diphenyl-1,3-oxazol-2-yl)-4-methylpentan-3-one;1-[(3Z)-6-fluoro-2-methyl-3-[[4-[methyl(methylidene)-λ4-sulfanyl]phenyl]methylidene]inden-1-yl]-3-methylbutan-2-one;1-[5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]-3-methylbutan-2-one;[7-(3-methylbut-1-en-2-yl)-6,7-dihydro-5H-pyrrolizin-3-yl]-phenylmethanone;3-methyl-1-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]butan-2-one;2-[[4-(4-methyl-3-oxopentan-2-yl)phenyl]methyl]cyclopentan-1-one (PubChem CID 160832254) has the molecular formula C160H181Cl2FN6O14S and a molecular weight of 2534.21 g/mol. Its IUPAC name is 1-[2-(2,6-dichloroanilino)phenyl]-3-methylbutan-2-one;1-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)-3-methylbutan-2-one;1-(4,5-diphenyl-1,3-oxazol-2-yl)-4-methylpentan-3-one;1-[(3Z)-6-fluoro-2-methyl-3-[[4-[methyl(methylidene)-λ4-sulfanyl]phenyl]methylidene]inden-1-yl]-3-methylbutan-2-one;1-[5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]-3-methylbutan-2-one;[7-(3-methylbut-1-en-2-yl)-6,7-dihydro-5H-pyrrolizin-3-yl]-phenylmethanone;3-methyl-1-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]butan-2-one;2-[[4-(4-methyl-3-oxopentan-2-yl)phenyl]methyl]cyclopentan-1-one.

Molecular Properties

• Compound Name: 1-[2-(2,6-dichloroanilino)phenyl]-3-methylbutan-2-one;1-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)-3-methylbutan-2-one;1-(4,5-diphenyl-1,3-oxazol-2-yl)-4-methylpentan-3-one;1-[(3Z)-6-fluoro-2-methyl-3-[[4-[methyl(methylidene)-λ4-sulfanyl]phenyl]methylidene]inden-1-yl]-3-methylbutan-2-one;1-[5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]-3-methylbutan-2-one;[7-(3-methylbut-1-en-2-yl)-6,7-dihydro-5H-pyrrolizin-3-yl]-phenylmethanone;3-methyl-1-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]butan-2-one;2-[[4-(4-methyl-3-oxopentan-2-yl)phenyl]methyl]cyclopentan-1-one
• PubChem CID: 160832254
• Molecular Formula: C160H181Cl2FN6O14S
• Molecular Weight: 2534.21 g/mol
• Exact Mass: 2531.27
• IUPAC Name: 1-[2-(2,6-dichloroanilino)phenyl]-3-methylbutan-2-one;1-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)-3-methylbutan-2-one;1-(4,5-diphenyl-1,3-oxazol-2-yl)-4-methylpentan-3-one;1-[(3Z)-6-fluoro-2-methyl-3-[[4-[methyl(methylidene)-λ4-sulfanyl]phenyl]methylidene]inden-1-yl]-3-methylbutan-2-one;1-[5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]-3-methylbutan-2-one;[7-(3-methylbut-1-en-2-yl)-6,7-dihydro-5H-pyrrolizin-3-yl]-phenylmethanone;3-methyl-1-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]butan-2-one;2-[[4-(4-methyl-3-oxopentan-2-yl)phenyl]methyl]cyclopentan-1-one
• SMILES: C=C(C(C)C)C1CCn2c(C(=O)c3ccccc3)ccc21.C=S(C)c1ccc(/C=C2/C(C)=C(CC(=O)C(C)C)c3cc(F)ccc32)cc1.CC(C)C(=O)C(C)c1ccc(CC2CCCC2=O)cc1.CC(C)C(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1.CC(C)C(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl.CCc1cccc2c3c([nH]c12)C(CC)(CC(=O)C(C)C)OCC3.COc1ccc2c(c1)c(CC(=O)C(C)C)c(C)n2C(=O)c1ccc(C)cc1.Cc1ccc(C(=O)c2ccc(CC(=O)C(C)C)n2C)cc1
• InChI: InChI=1S/C24H25FOS.C23H25NO3.C21H21NO2.C20H27NO2.C19H21NO.C18H21NO2.C18H24O2.C17H17Cl2NO/c1-15(2)24(26)14-22-16(3)21(20-11-8-18(25)13-23(20)22)12-17-6-9-19(10-7-17)27(4)5;1-14(2)22(25)13-19-16(4)24(21-11-10-18(27-5)12-20(19)21)23(26)17-8-6-15(3)7-9-17;1-15(2)18(23)13-14-19-22-20(16-9-5-3-6-10-16)21(24-19)17-11-7-4-8-12-17;1-5-14-8-7-9-15-16-10-11-23-20(6-2,12-17(22)13(3)4)19(16)21-18(14)15;1-13(2)14(3)16-11-12-20-17(16)9-10-18(20)19(21)15-7-5-4-6-8-15;1-12(2)17(20)11-15-9-10-16(19(15)4)18(21)14-7-5-13(3)6-8-14;1-12(2)18(20)13(3)15-9-7-14(8-10-15)11-16-5-4-6-17(16)19;1-11(2)16(21)10-12-6-3-4-9-15(12)20-17-13(18)7-5-8-14(17)19/h6-13,15H,4,14H2,1-3,5H3;6-12,14H,13H2,1-5H3;3-12,15H,13-14H2,1-2H3;7-9,13,21H,5-6,10-12H2,1-4H3;4-10,13,16H,3,11-12H2,1-2H3;5-10,12H,11H2,1-4H3;7-10,12-13,16H,4-6,11H2,1-3H3;3-9,11,20H,10H2,1-2H3/b21-12-
• InChIKey: SGYILBGXLLTMSU-XWQUTSQISA-N
• XLogP: 38.05
• TPSA: 274.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 40
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2534.21
LogP ≤ 5	38.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dichloroanilino)phenyl]-3-methylbutan-2-one;1-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)-3-methylbutan-2-one;1-(4,5-diphenyl-1,3-oxazol-2-yl)-4-methylpentan-3-one;1-[(3Z)-6-fluoro-2-methyl-3-[[4-[methyl(methylidene)-λ4-sulfanyl]phenyl]methylidene]inden-1-yl]-3-methylbutan-2-one;1-[5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]-3-methylbutan-2-one;[7-(3-methylbut-1-en-2-yl)-6,7-dihydro-5H-pyrrolizin-3-yl]-phenylmethanone;3-methyl-1-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]butan-2-one;2-[[4-(4-methyl-3-oxopentan-2-yl)phenyl]methyl]cyclopentan-1-one?

The IUPAC name of 1-[2-(2,6-dichloroanilino)phenyl]-3-methylbutan-2-one;1-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)-3-methylbutan-2-one;1-(4,5-diphenyl-1,3-oxazol-2-yl)-4-methylpentan-3-one;1-[(3Z)-6-fluoro-2-methyl-3-[[4-[methyl(methylidene)-λ4-sulfanyl]phenyl]methylidene]inden-1-yl]-3-methylbutan-2-one;1-[5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]-3-methylbutan-2-one;[7-(3-methylbut-1-en-2-yl)-6,7-dihydro-5H-pyrrolizin-3-yl]-phenylmethanone;3-methyl-1-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]butan-2-one;2-[[4-(4-methyl-3-oxopentan-2-yl)phenyl]methyl]cyclopentan-1-one (CID 160832254) is 1-[2-(2,6-dichloroanilino)phenyl]-3-methylbutan-2-one;1-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)-3-methylbutan-2-one;1-(4,5-diphenyl-1,3-oxazol-2-yl)-4-methylpentan-3-one;1-[(3Z)-6-fluoro-2-methyl-3-[[4-[methyl(methylidene)-λ4-sulfanyl]phenyl]methylidene]inden-1-yl]-3-methylbutan-2-one;1-[5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]-3-methylbutan-2-one;[7-(3-methylbut-1-en-2-yl)-6,7-dihydro-5H-pyrrolizin-3-yl]-phenylmethanone;3-methyl-1-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]butan-2-one;2-[[4-(4-methyl-3-oxopentan-2-yl)phenyl]methyl]cyclopentan-1-one.

What is the SMILES notation for 1-[2-(2,6-dichloroanilino)phenyl]-3-methylbutan-2-one;1-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)-3-methylbutan-2-one;1-(4,5-diphenyl-1,3-oxazol-2-yl)-4-methylpentan-3-one;1-[(3Z)-6-fluoro-2-methyl-3-[[4-[methyl(methylidene)-λ4-sulfanyl]phenyl]methylidene]inden-1-yl]-3-methylbutan-2-one;1-[5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]-3-methylbutan-2-one;[7-(3-methylbut-1-en-2-yl)-6,7-dihydro-5H-pyrrolizin-3-yl]-phenylmethanone;3-methyl-1-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]butan-2-one;2-[[4-(4-methyl-3-oxopentan-2-yl)phenyl]methyl]cyclopentan-1-one?

The canonical SMILES for 1-[2-(2,6-dichloroanilino)phenyl]-3-methylbutan-2-one;1-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)-3-methylbutan-2-one;1-(4,5-diphenyl-1,3-oxazol-2-yl)-4-methylpentan-3-one;1-[(3Z)-6-fluoro-2-methyl-3-[[4-[methyl(methylidene)-λ4-sulfanyl]phenyl]methylidene]inden-1-yl]-3-methylbutan-2-one;1-[5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]-3-methylbutan-2-one;[7-(3-methylbut-1-en-2-yl)-6,7-dihydro-5H-pyrrolizin-3-yl]-phenylmethanone;3-methyl-1-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]butan-2-one;2-[[4-(4-methyl-3-oxopentan-2-yl)phenyl]methyl]cyclopentan-1-one is C=C(C(C)C)C1CCn2c(C(=O)c3ccccc3)ccc21.C=S(C)c1ccc(/C=C2/C(C)=C(CC(=O)C(C)C)c3cc(F)ccc32)cc1.CC(C)C(=O)C(C)c1ccc(CC2CCCC2=O)cc1.CC(C)C(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1.CC(C)C(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl.CCc1cccc2c3c([nH]c12)C(CC)(CC(=O)C(C)C)OCC3.COc1ccc2c(c1)c(CC(=O)C(C)C)c(C)n2C(=O)c1ccc(C)cc1.Cc1ccc(C(=O)c2ccc(CC(=O)C(C)C)n2C)cc1.

What is the InChIKey of 1-[2-(2,6-dichloroanilino)phenyl]-3-methylbutan-2-one;1-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)-3-methylbutan-2-one;1-(4,5-diphenyl-1,3-oxazol-2-yl)-4-methylpentan-3-one;1-[(3Z)-6-fluoro-2-methyl-3-[[4-[methyl(methylidene)-λ4-sulfanyl]phenyl]methylidene]inden-1-yl]-3-methylbutan-2-one;1-[5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]-3-methylbutan-2-one;[7-(3-methylbut-1-en-2-yl)-6,7-dihydro-5H-pyrrolizin-3-yl]-phenylmethanone;3-methyl-1-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]butan-2-one;2-[[4-(4-methyl-3-oxopentan-2-yl)phenyl]methyl]cyclopentan-1-one?

The InChIKey is SGYILBGXLLTMSU-XWQUTSQISA-N. The full InChI is InChI=1S/C24H25FOS.C23H25NO3.C21H21NO2.C20H27NO2.C19H21NO.C18H21NO2.C18H24O2.C17H17Cl2NO/c1-15(2)24(26)14-22-16(3)21(20-11-8-18(25)13-23(20)22)12-17-6-9-19(10-7-17)27(4)5;1-14(2)22(25)13-19-16(4)24(21-11-10-18(27-5)12-20(19)21)23(26)17-8-6-15(3)7-9-17;1-15(2)18(23)13-14-19-22-20(16-9-5-3-6-10-16)21(24-19)17-11-7-4-8-12-17;1-5-14-8-7-9-15-16-10-11-23-20(6-2,12-17(22)13(3)4)19(16)21-18(14)15;1-13(2)14(3)16-11-12-20-17(16)9-10-18(20)19(21)15-7-5-4-6-8-15;1-12(2)17(20)11-15-9-10-16(19(15)4)18(21)14-7-5-13(3)6-8-14;1-12(2)18(20)13(3)15-9-7-14(8-10-15)11-16-5-4-6-17(16)19;1-11(2)16(21)10-12-6-3-4-9-15(12)20-17-13(18)7-5-8-14(17)19/h6-13,15H,4,14H2,1-3,5H3;6-12,14H,13H2,1-5H3;3-12,15H,13-14H2,1-2H3;7-9,13,21H,5-6,10-12H2,1-4H3;4-10,13,16H,3,11-12H2,1-2H3;5-10,12H,11H2,1-4H3;7-10,12-13,16H,4-6,11H2,1-3H3;3-9,11,20H,10H2,1-2H3/b21-12-;;;;;;;.

What are the key properties of 1-[2-(2,6-dichloroanilino)phenyl]-3-methylbutan-2-one;1-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)-3-methylbutan-2-one;1-(4,5-diphenyl-1,3-oxazol-2-yl)-4-methylpentan-3-one;1-[(3Z)-6-fluoro-2-methyl-3-[[4-[methyl(methylidene)-λ4-sulfanyl]phenyl]methylidene]inden-1-yl]-3-methylbutan-2-one;1-[5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]-3-methylbutan-2-one;[7-(3-methylbut-1-en-2-yl)-6,7-dihydro-5H-pyrrolizin-3-yl]-phenylmethanone;3-methyl-1-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]butan-2-one;2-[[4-(4-methyl-3-oxopentan-2-yl)phenyl]methyl]cyclopentan-1-one?

1-[2-(2,6-dichloroanilino)phenyl]-3-methylbutan-2-one;1-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)-3-methylbutan-2-one;1-(4,5-diphenyl-1,3-oxazol-2-yl)-4-methylpentan-3-one;1-[(3Z)-6-fluoro-2-methyl-3-[[4-[methyl(methylidene)-λ4-sulfanyl]phenyl]methylidene]inden-1-yl]-3-methylbutan-2-one;1-[5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]-3-methylbutan-2-one;[7-(3-methylbut-1-en-2-yl)-6,7-dihydro-5H-pyrrolizin-3-yl]-phenylmethanone;3-methyl-1-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]butan-2-one;2-[[4-(4-methyl-3-oxopentan-2-yl)phenyl]methyl]cyclopentan-1-one has a molecular weight of 2534.21 g/mol, XLogP of 38.05, 40 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(2,6-dichloroanilino)phenyl]-3-methylbutan-2-one;1-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)-3-methylbutan-2-one;1-(4,5-diphenyl-1,3-oxazol-2-yl)-4-methylpentan-3-one;1-[(3Z)-6-fluoro-2-methyl-3-[[4-[methyl(methylidene)-λ4-sulfanyl]phenyl]methylidene]inden-1-yl]-3-methylbutan-2-one;1-[5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]-3-methylbutan-2-one;[7-(3-methylbut-1-en-2-yl)-6,7-dihydro-5H-pyrrolizin-3-yl]-phenylmethanone;3-methyl-1-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]butan-2-one;2-[[4-(4-methyl-3-oxopentan-2-yl)phenyl]methyl]cyclopentan-1-one is sourced from PubChem (CID 160832254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).