1-[1-(4-chlorobenzoyl)-5-fluoroindol-3-yl]propan-2-one;4-[1-(4-chlorobenzoyl)-5-fluoro-3-methylindol-2-yl]butan-2-one;1-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]propan-2-one;2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]-N-(trifluoromethylsulfonyl)acetamide;4-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]butan-2-one

C97H80Cl5F5N6O15S — CID 160898721

IUPAC1-[1-(4-chlorobenzoyl)-5-fluoroindol-3-yl]propan-2-one;4-[1-(4-chlorobenzoyl)-5-fluoro-3-methylindol-2-yl]butan-2-one;1-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]propan-2-one;2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]-N-(trifluoromethylsulfonyl)acetamide;4-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]butan-2-one
SMILESCC(=O)CCc1c(C)c2cc(F)ccc2n1C(=O)c1ccc(Cl)cc1.CC(=O)Cc1cn(C(=O)c2ccc(Cl)cc2)c2ccc(F)cc12.COc1ccc2c(c1)c(C)c(CCC(C)=O)n2C(=O)c1ccc(Cl)cc1.COc1ccc2c(c1)c(CC(=O)NS(=O)(=O)C(F)(F)F)cn2C(=O)c1ccc(Cl)cc1.COc1ccc2c(c1)c(CC(C)=O)cn2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H20ClNO3.C20H17ClFNO2.C19H14ClF3N2O5S.C19H16ClNO3.C18H13ClFNO2/c1-13(24)4-10-19-14(2)18-12-17(26-3)9-11-20(18)23(19)21(25)15-5-7-16(22)8-6-15;1-12(24)3-9-18-13(2)17-11-16(22)8-10-19(17)23(18)20(25)14-4-6-15(21)7-5-14;1-30-14-6-7-16-15(9-14)12(8-17(26)24-31(28,29)19(21,22)23)10-25(16)18(27)11-2-4-13(20)5-3-11;1-12(22)9-14-11-21(18-8-7-16(24-2)10-17(14)18)19(23)13-3-5-15(20)6-4-13;1-11(22)8-13-10-21(17-7-6-15(20)9-16(13)17)18(23)12-2-4-14(19)5-3-12/h5-9,11-12H,4,10H2,1-3H3;4-8,10-11H,3,9H2,1-2H3;2-7,9-10H,8H2,1H3,(H,24,26);3-8,10-11H,9H2,1-2H3;2-7,9-10H,8H2,1H3
InChIKeySPFJNWRTEJWEKB-UHFFFAOYSA-N
MW1874.06 g/mol
LogP21.65
Rot. Bonds21

About 1-[1-(4-chlorobenzoyl)-5-fluoroindol-3-yl]propan-2-one;4-[1-(4-chlorobenzoyl)-5-fluoro-3-methylindol-2-yl]butan-2-one;1-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]propan-2-one;2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]-N-(trifluoromethylsulfonyl)acetamide;4-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]butan-2-one

1-[1-(4-chlorobenzoyl)-5-fluoroindol-3-yl]propan-2-one;4-[1-(4-chlorobenzoyl)-5-fluoro-3-methylindol-2-yl]butan-2-one;1-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]propan-2-one;2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]-N-(trifluoromethylsulfonyl)acetamide;4-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]butan-2-one (PubChem CID 160898721) has the molecular formula C97H80Cl5F5N6O15S and a molecular weight of 1874.06 g/mol. Its IUPAC name is 1-[1-(4-chlorobenzoyl)-5-fluoroindol-3-yl]propan-2-one;4-[1-(4-chlorobenzoyl)-5-fluoro-3-methylindol-2-yl]butan-2-one;1-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]propan-2-one;2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]-N-(trifluoromethylsulfonyl)acetamide;4-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]butan-2-one.

Molecular Properties

Compound Name1-[1-(4-chlorobenzoyl)-5-fluoroindol-3-yl]propan-2-one;4-[1-(4-chlorobenzoyl)-5-fluoro-3-methylindol-2-yl]butan-2-one;1-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]propan-2-one;2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]-N-(trifluoromethylsulfonyl)acetamide;4-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]butan-2-one
PubChem CID160898721
Molecular FormulaC97H80Cl5F5N6O15S
Molecular Weight1874.06 g/mol
Exact Mass1870.38
IUPAC Name1-[1-(4-chlorobenzoyl)-5-fluoroindol-3-yl]propan-2-one;4-[1-(4-chlorobenzoyl)-5-fluoro-3-methylindol-2-yl]butan-2-one;1-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]propan-2-one;2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]-N-(trifluoromethylsulfonyl)acetamide;4-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]butan-2-one
SMILESCC(=O)CCc1c(C)c2cc(F)ccc2n1C(=O)c1ccc(Cl)cc1.CC(=O)Cc1cn(C(=O)c2ccc(Cl)cc2)c2ccc(F)cc12.COc1ccc2c(c1)c(C)c(CCC(C)=O)n2C(=O)c1ccc(Cl)cc1.COc1ccc2c(c1)c(CC(=O)NS(=O)(=O)C(F)(F)F)cn2C(=O)c1ccc(Cl)cc1.COc1ccc2c(c1)c(CC(C)=O)cn2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H20ClNO3.C20H17ClFNO2.C19H14ClF3N2O5S.C19H16ClNO3.C18H13ClFNO2/c1-13(24)4-10-19-14(2)18-12-17(26-3)9-11-20(18)23(19)21(25)15-5-7-16(22)8-6-15;1-12(24)3-9-18-13(2)17-11-16(22)8-10-19(17)23(18)20(25)14-4-6-15(21)7-5-14;1-30-14-6-7-16-15(9-14)12(8-17(26)24-31(28,29)19(21,22)23)10-25(16)18(27)11-2-4-13(20)5-3-11;1-12(22)9-14-11-21(18-8-7-16(24-2)10-17(14)18)19(23)13-3-5-15(20)6-4-13;1-11(22)8-13-10-21(17-7-6-15(20)9-16(13)17)18(23)12-2-4-14(19)5-3-12/h5-9,11-12H,4,10H2,1-3H3;4-8,10-11H,3,9H2,1-2H3;2-7,9-10H,8H2,1H3,(H,24,26);3-8,10-11H,9H2,1-2H3;2-7,9-10H,8H2,1H3
InChIKeySPFJNWRTEJWEKB-UHFFFAOYSA-N
XLogP21.65
TPSA269.21 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds21
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001874.06
LogP ≤ 521.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

Analyze 1-[1-(4-chlorobenzoyl)-5-fluoroindol-3-yl]propan-2-one;4-[1-(4-chlorobenzoyl)-5-fluoro-3-methylindol-2-yl]butan-2-one;1-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]propan-2-one;2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]-N-(trifluoromethylsulfonyl)acetamide;4-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]butan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorobenzoyl)-5-fluoroindol-3-yl]propan-2-one;4-[1-(4-chlorobenzoyl)-5-fluoro-3-methylindol-2-yl]butan-2-one;1-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]propan-2-one;2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]-N-(trifluoromethylsulfonyl)acetamide;4-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]butan-2-one?
The IUPAC name of 1-[1-(4-chlorobenzoyl)-5-fluoroindol-3-yl]propan-2-one;4-[1-(4-chlorobenzoyl)-5-fluoro-3-methylindol-2-yl]butan-2-one;1-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]propan-2-one;2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]-N-(trifluoromethylsulfonyl)acetamide;4-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]butan-2-one (CID 160898721) is 1-[1-(4-chlorobenzoyl)-5-fluoroindol-3-yl]propan-2-one;4-[1-(4-chlorobenzoyl)-5-fluoro-3-methylindol-2-yl]butan-2-one;1-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]propan-2-one;2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]-N-(trifluoromethylsulfonyl)acetamide;4-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]butan-2-one.
What is the SMILES notation for 1-[1-(4-chlorobenzoyl)-5-fluoroindol-3-yl]propan-2-one;4-[1-(4-chlorobenzoyl)-5-fluoro-3-methylindol-2-yl]butan-2-one;1-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]propan-2-one;2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]-N-(trifluoromethylsulfonyl)acetamide;4-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]butan-2-one?
The canonical SMILES for 1-[1-(4-chlorobenzoyl)-5-fluoroindol-3-yl]propan-2-one;4-[1-(4-chlorobenzoyl)-5-fluoro-3-methylindol-2-yl]butan-2-one;1-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]propan-2-one;2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]-N-(trifluoromethylsulfonyl)acetamide;4-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]butan-2-one is CC(=O)CCc1c(C)c2cc(F)ccc2n1C(=O)c1ccc(Cl)cc1.CC(=O)Cc1cn(C(=O)c2ccc(Cl)cc2)c2ccc(F)cc12.COc1ccc2c(c1)c(C)c(CCC(C)=O)n2C(=O)c1ccc(Cl)cc1.COc1ccc2c(c1)c(CC(=O)NS(=O)(=O)C(F)(F)F)cn2C(=O)c1ccc(Cl)cc1.COc1ccc2c(c1)c(CC(C)=O)cn2C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-[1-(4-chlorobenzoyl)-5-fluoroindol-3-yl]propan-2-one;4-[1-(4-chlorobenzoyl)-5-fluoro-3-methylindol-2-yl]butan-2-one;1-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]propan-2-one;2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]-N-(trifluoromethylsulfonyl)acetamide;4-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]butan-2-one?
The InChIKey is SPFJNWRTEJWEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO3.C20H17ClFNO2.C19H14ClF3N2O5S.C19H16ClNO3.C18H13ClFNO2/c1-13(24)4-10-19-14(2)18-12-17(26-3)9-11-20(18)23(19)21(25)15-5-7-16(22)8-6-15;1-12(24)3-9-18-13(2)17-11-16(22)8-10-19(17)23(18)20(25)14-4-6-15(21)7-5-14;1-30-14-6-7-16-15(9-14)12(8-17(26)24-31(28,29)19(21,22)23)10-25(16)18(27)11-2-4-13(20)5-3-11;1-12(22)9-14-11-21(18-8-7-16(24-2)10-17(14)18)19(23)13-3-5-15(20)6-4-13;1-11(22)8-13-10-21(17-7-6-15(20)9-16(13)17)18(23)12-2-4-14(19)5-3-12/h5-9,11-12H,4,10H2,1-3H3;4-8,10-11H,3,9H2,1-2H3;2-7,9-10H,8H2,1H3,(H,24,26);3-8,10-11H,9H2,1-2H3;2-7,9-10H,8H2,1H3.
What are the key properties of 1-[1-(4-chlorobenzoyl)-5-fluoroindol-3-yl]propan-2-one;4-[1-(4-chlorobenzoyl)-5-fluoro-3-methylindol-2-yl]butan-2-one;1-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]propan-2-one;2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]-N-(trifluoromethylsulfonyl)acetamide;4-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]butan-2-one?
1-[1-(4-chlorobenzoyl)-5-fluoroindol-3-yl]propan-2-one;4-[1-(4-chlorobenzoyl)-5-fluoro-3-methylindol-2-yl]butan-2-one;1-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]propan-2-one;2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]-N-(trifluoromethylsulfonyl)acetamide;4-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]butan-2-one has a molecular weight of 1874.06 g/mol, XLogP of 21.65, 21 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorobenzoyl)-5-fluoroindol-3-yl]propan-2-one;4-[1-(4-chlorobenzoyl)-5-fluoro-3-methylindol-2-yl]butan-2-one;1-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]propan-2-one;2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]-N-(trifluoromethylsulfonyl)acetamide;4-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]butan-2-one is sourced from PubChem (CID 160898721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).