3-(4-aminophenyl)-1,3-dimethylindol-2-one;1-bromo-4-ethylbenzene;3-(4-bromophenyl)-1,3-dimethylindol-2-one;2-(4-bromophenyl)-N-(2-fluorophenyl)-N-methylpropanamide;carbon dioxide;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;1,3-dimethyl-3-[4-(2-phenylethyl)phenyl]indol-2-one;ethyl 2-(4-bromophenyl)propanoate;1-ethyl-2-fluorobenzene;methyl 2-(4-bromophenyl)acetate

C130H124Br5ClF4N8O13 — CID 158271918

About 3-(4-aminophenyl)-1,3-dimethylindol-2-one;1-bromo-4-ethylbenzene;3-(4-bromophenyl)-1,3-dimethylindol-2-one;2-(4-bromophenyl)-N-(2-fluorophenyl)-N-methylpropanamide;carbon dioxide;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;1,3-dimethyl-3-[4-(2-phenylethyl)phenyl]indol-2-one;ethyl 2-(4-bromophenyl)propanoate;1-ethyl-2-fluorobenzene;methyl 2-(4-bromophenyl)acetate

3-(4-aminophenyl)-1,3-dimethylindol-2-one;1-bromo-4-ethylbenzene;3-(4-bromophenyl)-1,3-dimethylindol-2-one;2-(4-bromophenyl)-N-(2-fluorophenyl)-N-methylpropanamide;carbon dioxide;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;1,3-dimethyl-3-[4-(2-phenylethyl)phenyl]indol-2-one;ethyl 2-(4-bromophenyl)propanoate;1-ethyl-2-fluorobenzene;methyl 2-(4-bromophenyl)acetate (PubChem CID 158271918) has the molecular formula C130H124Br5ClF4N8O13 and a molecular weight of 2517.43 g/mol. Its IUPAC name is 3-(4-aminophenyl)-1,3-dimethylindol-2-one;1-bromo-4-ethylbenzene;3-(4-bromophenyl)-1,3-dimethylindol-2-one;2-(4-bromophenyl)-N-(2-fluorophenyl)-N-methylpropanamide;carbon dioxide;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;1,3-dimethyl-3-[4-(2-phenylethyl)phenyl]indol-2-one;ethyl 2-(4-bromophenyl)propanoate;1-ethyl-2-fluorobenzene;methyl 2-(4-bromophenyl)acetate.

Molecular Properties

• Compound Name: 3-(4-aminophenyl)-1,3-dimethylindol-2-one;1-bromo-4-ethylbenzene;3-(4-bromophenyl)-1,3-dimethylindol-2-one;2-(4-bromophenyl)-N-(2-fluorophenyl)-N-methylpropanamide;carbon dioxide;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;1,3-dimethyl-3-[4-(2-phenylethyl)phenyl]indol-2-one;ethyl 2-(4-bromophenyl)propanoate;1-ethyl-2-fluorobenzene;methyl 2-(4-bromophenyl)acetate
• PubChem CID: 158271918
• Molecular Formula: C130H124Br5ClF4N8O13
• Molecular Weight: 2517.43 g/mol
• Exact Mass: 2510.48
• IUPAC Name: 3-(4-aminophenyl)-1,3-dimethylindol-2-one;1-bromo-4-ethylbenzene;3-(4-bromophenyl)-1,3-dimethylindol-2-one;2-(4-bromophenyl)-N-(2-fluorophenyl)-N-methylpropanamide;carbon dioxide;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;1,3-dimethyl-3-[4-(2-phenylethyl)phenyl]indol-2-one;ethyl 2-(4-bromophenyl)propanoate;1-ethyl-2-fluorobenzene;methyl 2-(4-bromophenyl)acetate
• SMILES: CC(C(=O)N(C)c1ccccc1F)c1ccc(Br)cc1.CCOC(=O)C(C)c1ccc(Br)cc1.CCc1ccc(Br)cc1.CCc1ccccc1F.CN1C(=O)C(C)(c2ccc(Br)cc2)c2ccccc21.CN1C(=O)C(C)(c2ccc(CCc3ccccc3)cc2)c2ccccc21.CN1C(=O)C(C)(c2ccc(N)cc2)c2ccccc21.COC(=O)Cc1ccc(Br)cc1.COc1ccc(CN2Cc3nc(-c4c(F)cccc4F)nc(Cl)c3C2=O)c(OC)c1.O=C=O
• InChI: InChI=1S/C24H23NO.C21H16ClF2N3O3.C16H15BrFNO.C16H14BrNO.C16H16N2O.C11H13BrO2.C9H9BrO2.C8H9Br.C8H9F.CO2/c1-24(21-10-6-7-11-22(21)25(2)23(24)26)20-16-14-19(15-17-20)13-12-18-8-4-3-5-9-18;1-29-12-7-6-11(16(8-12)30-2)9-27-10-15-18(21(27)28)19(22)26-20(25-15)17-13(23)4-3-5-14(17)24;1-11(12-7-9-13(17)10-8-12)16(20)19(2)15-6-4-3-5-14(15)18;2*1-16(11-7-9-12(17)10-8-11)13-5-3-4-6-14(13)18(2)15(16)19;1-3-14-11(13)8(2)9-4-6-10(12)7-5-9;1-12-9(11)6-7-2-4-8(10)5-3-7;1-2-7-3-5-8(9)6-4-7;1-2-7-5-3-4-6-8(7)9;2-1-3/h3-11,14-17H,12-13H2,1-2H3;3-8H,9-10H2,1-2H3;3-11H,1-2H3;3-10H,1-2H3;3-10H,17H2,1-2H3;4-8H,3H2,1-2H3;2-5H,6H2,1H3;2*3-6H,2H2,1H3
• InChIKey: GJDHAENKGXMCTG-UHFFFAOYSA-N
• XLogP: 29.74
• TPSA: 258.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 16
• Rotatable Bonds: 21
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2517.43
LogP ≤ 5	29.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-1,3-dimethylindol-2-one;1-bromo-4-ethylbenzene;3-(4-bromophenyl)-1,3-dimethylindol-2-one;2-(4-bromophenyl)-N-(2-fluorophenyl)-N-methylpropanamide;carbon dioxide;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;1,3-dimethyl-3-[4-(2-phenylethyl)phenyl]indol-2-one;ethyl 2-(4-bromophenyl)propanoate;1-ethyl-2-fluorobenzene;methyl 2-(4-bromophenyl)acetate?

The IUPAC name of 3-(4-aminophenyl)-1,3-dimethylindol-2-one;1-bromo-4-ethylbenzene;3-(4-bromophenyl)-1,3-dimethylindol-2-one;2-(4-bromophenyl)-N-(2-fluorophenyl)-N-methylpropanamide;carbon dioxide;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;1,3-dimethyl-3-[4-(2-phenylethyl)phenyl]indol-2-one;ethyl 2-(4-bromophenyl)propanoate;1-ethyl-2-fluorobenzene;methyl 2-(4-bromophenyl)acetate (CID 158271918) is 3-(4-aminophenyl)-1,3-dimethylindol-2-one;1-bromo-4-ethylbenzene;3-(4-bromophenyl)-1,3-dimethylindol-2-one;2-(4-bromophenyl)-N-(2-fluorophenyl)-N-methylpropanamide;carbon dioxide;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;1,3-dimethyl-3-[4-(2-phenylethyl)phenyl]indol-2-one;ethyl 2-(4-bromophenyl)propanoate;1-ethyl-2-fluorobenzene;methyl 2-(4-bromophenyl)acetate.

What is the SMILES notation for 3-(4-aminophenyl)-1,3-dimethylindol-2-one;1-bromo-4-ethylbenzene;3-(4-bromophenyl)-1,3-dimethylindol-2-one;2-(4-bromophenyl)-N-(2-fluorophenyl)-N-methylpropanamide;carbon dioxide;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;1,3-dimethyl-3-[4-(2-phenylethyl)phenyl]indol-2-one;ethyl 2-(4-bromophenyl)propanoate;1-ethyl-2-fluorobenzene;methyl 2-(4-bromophenyl)acetate?

The canonical SMILES for 3-(4-aminophenyl)-1,3-dimethylindol-2-one;1-bromo-4-ethylbenzene;3-(4-bromophenyl)-1,3-dimethylindol-2-one;2-(4-bromophenyl)-N-(2-fluorophenyl)-N-methylpropanamide;carbon dioxide;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;1,3-dimethyl-3-[4-(2-phenylethyl)phenyl]indol-2-one;ethyl 2-(4-bromophenyl)propanoate;1-ethyl-2-fluorobenzene;methyl 2-(4-bromophenyl)acetate is CC(C(=O)N(C)c1ccccc1F)c1ccc(Br)cc1.CCOC(=O)C(C)c1ccc(Br)cc1.CCc1ccc(Br)cc1.CCc1ccccc1F.CN1C(=O)C(C)(c2ccc(Br)cc2)c2ccccc21.CN1C(=O)C(C)(c2ccc(CCc3ccccc3)cc2)c2ccccc21.CN1C(=O)C(C)(c2ccc(N)cc2)c2ccccc21.COC(=O)Cc1ccc(Br)cc1.COc1ccc(CN2Cc3nc(-c4c(F)cccc4F)nc(Cl)c3C2=O)c(OC)c1.O=C=O.

What is the InChIKey of 3-(4-aminophenyl)-1,3-dimethylindol-2-one;1-bromo-4-ethylbenzene;3-(4-bromophenyl)-1,3-dimethylindol-2-one;2-(4-bromophenyl)-N-(2-fluorophenyl)-N-methylpropanamide;carbon dioxide;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;1,3-dimethyl-3-[4-(2-phenylethyl)phenyl]indol-2-one;ethyl 2-(4-bromophenyl)propanoate;1-ethyl-2-fluorobenzene;methyl 2-(4-bromophenyl)acetate?

The InChIKey is GJDHAENKGXMCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO.C21H16ClF2N3O3.C16H15BrFNO.C16H14BrNO.C16H16N2O.C11H13BrO2.C9H9BrO2.C8H9Br.C8H9F.CO2/c1-24(21-10-6-7-11-22(21)25(2)23(24)26)20-16-14-19(15-17-20)13-12-18-8-4-3-5-9-18;1-29-12-7-6-11(16(8-12)30-2)9-27-10-15-18(21(27)28)19(22)26-20(25-15)17-13(23)4-3-5-14(17)24;1-11(12-7-9-13(17)10-8-12)16(20)19(2)15-6-4-3-5-14(15)18;2*1-16(11-7-9-12(17)10-8-11)13-5-3-4-6-14(13)18(2)15(16)19;1-3-14-11(13)8(2)9-4-6-10(12)7-5-9;1-12-9(11)6-7-2-4-8(10)5-3-7;1-2-7-3-5-8(9)6-4-7;1-2-7-5-3-4-6-8(7)9;2-1-3/h3-11,14-17H,12-13H2,1-2H3;3-8H,9-10H2,1-2H3;3-11H,1-2H3;3-10H,1-2H3;3-10H,17H2,1-2H3;4-8H,3H2,1-2H3;2-5H,6H2,1H3;2*3-6H,2H2,1H3;.

What are the key properties of 3-(4-aminophenyl)-1,3-dimethylindol-2-one;1-bromo-4-ethylbenzene;3-(4-bromophenyl)-1,3-dimethylindol-2-one;2-(4-bromophenyl)-N-(2-fluorophenyl)-N-methylpropanamide;carbon dioxide;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;1,3-dimethyl-3-[4-(2-phenylethyl)phenyl]indol-2-one;ethyl 2-(4-bromophenyl)propanoate;1-ethyl-2-fluorobenzene;methyl 2-(4-bromophenyl)acetate?

3-(4-aminophenyl)-1,3-dimethylindol-2-one;1-bromo-4-ethylbenzene;3-(4-bromophenyl)-1,3-dimethylindol-2-one;2-(4-bromophenyl)-N-(2-fluorophenyl)-N-methylpropanamide;carbon dioxide;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;1,3-dimethyl-3-[4-(2-phenylethyl)phenyl]indol-2-one;ethyl 2-(4-bromophenyl)propanoate;1-ethyl-2-fluorobenzene;methyl 2-(4-bromophenyl)acetate has a molecular weight of 2517.43 g/mol, XLogP of 29.74, 21 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-aminophenyl)-1,3-dimethylindol-2-one;1-bromo-4-ethylbenzene;3-(4-bromophenyl)-1,3-dimethylindol-2-one;2-(4-bromophenyl)-N-(2-fluorophenyl)-N-methylpropanamide;carbon dioxide;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;1,3-dimethyl-3-[4-(2-phenylethyl)phenyl]indol-2-one;ethyl 2-(4-bromophenyl)propanoate;1-ethyl-2-fluorobenzene;methyl 2-(4-bromophenyl)acetate is sourced from PubChem (CID 158271918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).