4-[1-(4-chlorobenzoyl)-3-ethyl-5-methoxyindol-2-yl]butan-2-one;4-[1-(4-chlorobenzoyl)-5-fluoro-3-methylindol-2-yl]butan-2-one;4-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]butan-2-one;3-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]-N-methylsulfonylpropanamide

C84H80Cl4FN5O13S — CID 159984437

IUPAC4-[1-(4-chlorobenzoyl)-3-ethyl-5-methoxyindol-2-yl]butan-2-one;4-[1-(4-chlorobenzoyl)-5-fluoro-3-methylindol-2-yl]butan-2-one;4-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]butan-2-one;3-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]-N-methylsulfonylpropanamide
SMILESCC(=O)CCc1c(C)c2cc(F)ccc2n1C(=O)c1ccc(Cl)cc1.CCc1c(CCC(C)=O)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12.COc1ccc2c(c1)c(C)c(CCC(=O)NS(C)(=O)=O)n2C(=O)c1ccc(Cl)cc1.COc1ccc2c(c1)c(C)c(CCC(C)=O)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H22ClNO3.C21H21ClN2O5S.C21H20ClNO3.C20H17ClFNO2/c1-4-18-19-13-17(27-3)10-12-21(19)24(20(18)11-5-14(2)25)22(26)15-6-8-16(23)9-7-15;1-13-17-12-16(29-2)8-9-19(17)24(21(26)14-4-6-15(22)7-5-14)18(13)10-11-20(25)23-30(3,27)28;1-13(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/h6-10,12-13H,4-5,11H2,1-3H3;4-9,12H,10-11H2,1-3H3,(H,23,25);5-9,11-12H,4,10H2,1-3H3;4-8,10-11H,3,9H2,1-2H3
InChIKeyOGDOYVBVMKXAGY-UHFFFAOYSA-N
MW1560.46 g/mol
LogP18.16
Rot. Bonds21

About 4-[1-(4-chlorobenzoyl)-3-ethyl-5-methoxyindol-2-yl]butan-2-one;4-[1-(4-chlorobenzoyl)-5-fluoro-3-methylindol-2-yl]butan-2-one;4-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]butan-2-one;3-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]-N-methylsulfonylpropanamide

4-[1-(4-chlorobenzoyl)-3-ethyl-5-methoxyindol-2-yl]butan-2-one;4-[1-(4-chlorobenzoyl)-5-fluoro-3-methylindol-2-yl]butan-2-one;4-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]butan-2-one;3-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]-N-methylsulfonylpropanamide (PubChem CID 159984437) has the molecular formula C84H80Cl4FN5O13S and a molecular weight of 1560.46 g/mol. Its IUPAC name is 4-[1-(4-chlorobenzoyl)-3-ethyl-5-methoxyindol-2-yl]butan-2-one;4-[1-(4-chlorobenzoyl)-5-fluoro-3-methylindol-2-yl]butan-2-one;4-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]butan-2-one;3-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]-N-methylsulfonylpropanamide.

Molecular Properties

Compound Name4-[1-(4-chlorobenzoyl)-3-ethyl-5-methoxyindol-2-yl]butan-2-one;4-[1-(4-chlorobenzoyl)-5-fluoro-3-methylindol-2-yl]butan-2-one;4-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]butan-2-one;3-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]-N-methylsulfonylpropanamide
PubChem CID159984437
Molecular FormulaC84H80Cl4FN5O13S
Molecular Weight1560.46 g/mol
Exact Mass1557.42
IUPAC Name4-[1-(4-chlorobenzoyl)-3-ethyl-5-methoxyindol-2-yl]butan-2-one;4-[1-(4-chlorobenzoyl)-5-fluoro-3-methylindol-2-yl]butan-2-one;4-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]butan-2-one;3-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]-N-methylsulfonylpropanamide
SMILESCC(=O)CCc1c(C)c2cc(F)ccc2n1C(=O)c1ccc(Cl)cc1.CCc1c(CCC(C)=O)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12.COc1ccc2c(c1)c(C)c(CCC(=O)NS(C)(=O)=O)n2C(=O)c1ccc(Cl)cc1.COc1ccc2c(c1)c(C)c(CCC(C)=O)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H22ClNO3.C21H21ClN2O5S.C21H20ClNO3.C20H17ClFNO2/c1-4-18-19-13-17(27-3)10-12-21(19)24(20(18)11-5-14(2)25)22(26)15-6-8-16(23)9-7-15;1-13-17-12-16(29-2)8-9-19(17)24(21(26)14-4-6-15(22)7-5-14)18(13)10-11-20(25)23-30(3,27)28;1-13(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/h6-10,12-13H,4-5,11H2,1-3H3;4-9,12H,10-11H2,1-3H3,(H,23,25);5-9,11-12H,4,10H2,1-3H3;4-8,10-11H,3,9H2,1-2H3
InChIKeyOGDOYVBVMKXAGY-UHFFFAOYSA-N
XLogP18.16
TPSA230.14 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds21
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001560.46
LogP ≤ 518.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Analyze 4-[1-(4-chlorobenzoyl)-3-ethyl-5-methoxyindol-2-yl]butan-2-one;4-[1-(4-chlorobenzoyl)-5-fluoro-3-methylindol-2-yl]butan-2-one;4-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]butan-2-one;3-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]-N-methylsulfonylpropanamide with MolForge

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Related Compounds

Indomethacin analog 3
CID 71523527
2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl-1H-indol-3-yl}-N-(4-fluorophenyl)acetamide
CID 1506603
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(trifluoromethylsulfonyl)acetamide
CID 12658320
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N-(3-fluoro-2-methylphenyl)acetamide
CID 1510975
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-methylsulfonylacetamide
CID 12658319
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(4-methylphenyl)sulfonylacetamide
CID 12658321
3-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]-2-methyl-N-methylsulfonylpropanamide
CID 71600819
3-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]-N-(trifluoromethylsulfonyl)propanamide
CID 71600944
3-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]-N-(4-methylphenyl)sulfonylpropanamide
CID 71600945
3-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]-N-(2-methylphenyl)sulfonylpropanamide
CID 71600947
3-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]-N-[4-(trifluoromethyl)phenyl]sulfonylpropanamide
CID 71600948
3-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]-N-[4-(trifluoromethoxy)phenyl]sulfonylpropanamide
CID 71601068

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chlorobenzoyl)-3-ethyl-5-methoxyindol-2-yl]butan-2-one;4-[1-(4-chlorobenzoyl)-5-fluoro-3-methylindol-2-yl]butan-2-one;4-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]butan-2-one;3-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]-N-methylsulfonylpropanamide?
The IUPAC name of 4-[1-(4-chlorobenzoyl)-3-ethyl-5-methoxyindol-2-yl]butan-2-one;4-[1-(4-chlorobenzoyl)-5-fluoro-3-methylindol-2-yl]butan-2-one;4-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]butan-2-one;3-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]-N-methylsulfonylpropanamide (CID 159984437) is 4-[1-(4-chlorobenzoyl)-3-ethyl-5-methoxyindol-2-yl]butan-2-one;4-[1-(4-chlorobenzoyl)-5-fluoro-3-methylindol-2-yl]butan-2-one;4-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]butan-2-one;3-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]-N-methylsulfonylpropanamide.
What is the SMILES notation for 4-[1-(4-chlorobenzoyl)-3-ethyl-5-methoxyindol-2-yl]butan-2-one;4-[1-(4-chlorobenzoyl)-5-fluoro-3-methylindol-2-yl]butan-2-one;4-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]butan-2-one;3-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]-N-methylsulfonylpropanamide?
The canonical SMILES for 4-[1-(4-chlorobenzoyl)-3-ethyl-5-methoxyindol-2-yl]butan-2-one;4-[1-(4-chlorobenzoyl)-5-fluoro-3-methylindol-2-yl]butan-2-one;4-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]butan-2-one;3-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]-N-methylsulfonylpropanamide is CC(=O)CCc1c(C)c2cc(F)ccc2n1C(=O)c1ccc(Cl)cc1.CCc1c(CCC(C)=O)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12.COc1ccc2c(c1)c(C)c(CCC(=O)NS(C)(=O)=O)n2C(=O)c1ccc(Cl)cc1.COc1ccc2c(c1)c(C)c(CCC(C)=O)n2C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-[1-(4-chlorobenzoyl)-3-ethyl-5-methoxyindol-2-yl]butan-2-one;4-[1-(4-chlorobenzoyl)-5-fluoro-3-methylindol-2-yl]butan-2-one;4-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]butan-2-one;3-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]-N-methylsulfonylpropanamide?
The InChIKey is OGDOYVBVMKXAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClNO3.C21H21ClN2O5S.C21H20ClNO3.C20H17ClFNO2/c1-4-18-19-13-17(27-3)10-12-21(19)24(20(18)11-5-14(2)25)22(26)15-6-8-16(23)9-7-15;1-13-17-12-16(29-2)8-9-19(17)24(21(26)14-4-6-15(22)7-5-14)18(13)10-11-20(25)23-30(3,27)28;1-13(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/h6-10,12-13H,4-5,11H2,1-3H3;4-9,12H,10-11H2,1-3H3,(H,23,25);5-9,11-12H,4,10H2,1-3H3;4-8,10-11H,3,9H2,1-2H3.
What are the key properties of 4-[1-(4-chlorobenzoyl)-3-ethyl-5-methoxyindol-2-yl]butan-2-one;4-[1-(4-chlorobenzoyl)-5-fluoro-3-methylindol-2-yl]butan-2-one;4-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]butan-2-one;3-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]-N-methylsulfonylpropanamide?
4-[1-(4-chlorobenzoyl)-3-ethyl-5-methoxyindol-2-yl]butan-2-one;4-[1-(4-chlorobenzoyl)-5-fluoro-3-methylindol-2-yl]butan-2-one;4-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]butan-2-one;3-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]-N-methylsulfonylpropanamide has a molecular weight of 1560.46 g/mol, XLogP of 18.16, 21 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chlorobenzoyl)-3-ethyl-5-methoxyindol-2-yl]butan-2-one;4-[1-(4-chlorobenzoyl)-5-fluoro-3-methylindol-2-yl]butan-2-one;4-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]butan-2-one;3-[1-(4-chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]-N-methylsulfonylpropanamide is sourced from PubChem (CID 159984437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).