4,7-dichloro-3-[2-(3-fluoro-4-methylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one;methane

C50H39Cl6FN4O9 — CID 159814062

IUPAC4,7-dichloro-3-[2-(3-fluoro-4-methylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one;methane
SMILESC.Cc1ccc(C(=O)CC2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1.Cc1ccc(C(=O)CC2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1F.O=C(CC1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1cccnc1
InChIInChI=1S/C17H12Cl2FNO3.C17H13Cl2NO3.C15H10Cl2N2O3.CH4/c1-8-2-3-9(6-12(8)20)13(22)7-17(24)14-10(18)4-5-11(19)15(14)21-16(17)23;1-9-2-4-10(5-3-9)13(21)8-17(23)14-11(18)6-7-12(19)15(14)20-16(17)22;16-9-3-4-10(17)13-12(9)15(22,14(21)19-13)6-11(20)8-2-1-5-18-7-8;/h2-6,24H,7H2,1H3,(H,21,23);2-7,23H,8H2,1H3,(H,20,22);1-5,7,22H,6H2,(H,19,21);1H4
InChIKeyNLJSTOCWCUBEGW-UHFFFAOYSA-N
MW1071.60 g/mol
LogP11.01
Rot. Bonds9

About 4,7-dichloro-3-[2-(3-fluoro-4-methylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one;methane

4,7-dichloro-3-[2-(3-fluoro-4-methylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one;methane (PubChem CID 159814062) has the molecular formula C50H39Cl6FN4O9 and a molecular weight of 1071.60 g/mol. Its IUPAC name is 4,7-dichloro-3-[2-(3-fluoro-4-methylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one;methane.

Molecular Properties

Compound Name4,7-dichloro-3-[2-(3-fluoro-4-methylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one;methane
PubChem CID159814062
Molecular FormulaC50H39Cl6FN4O9
Molecular Weight1071.60 g/mol
Exact Mass1068.08
IUPAC Name4,7-dichloro-3-[2-(3-fluoro-4-methylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one;methane
SMILESC.Cc1ccc(C(=O)CC2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1.Cc1ccc(C(=O)CC2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1F.O=C(CC1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1cccnc1
InChIInChI=1S/C17H12Cl2FNO3.C17H13Cl2NO3.C15H10Cl2N2O3.CH4/c1-8-2-3-9(6-12(8)20)13(22)7-17(24)14-10(18)4-5-11(19)15(14)21-16(17)23;1-9-2-4-10(5-3-9)13(21)8-17(23)14-11(18)6-7-12(19)15(14)20-16(17)22;16-9-3-4-10(17)13-12(9)15(22,14(21)19-13)6-11(20)8-2-1-5-18-7-8;/h2-6,24H,7H2,1H3,(H,21,23);2-7,23H,8H2,1H3,(H,20,22);1-5,7,22H,6H2,(H,19,21);1H4
InChIKeyNLJSTOCWCUBEGW-UHFFFAOYSA-N
XLogP11.01
TPSA212.09 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001071.60
LogP ≤ 511.01
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze 4,7-dichloro-3-[2-(3-fluoro-4-methylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,7-dichloro-3-[2-(3-fluoro-4-methylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one;methane?
The IUPAC name of 4,7-dichloro-3-[2-(3-fluoro-4-methylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one;methane (CID 159814062) is 4,7-dichloro-3-[2-(3-fluoro-4-methylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one;methane.
What is the SMILES notation for 4,7-dichloro-3-[2-(3-fluoro-4-methylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one;methane?
The canonical SMILES for 4,7-dichloro-3-[2-(3-fluoro-4-methylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one;methane is C.Cc1ccc(C(=O)CC2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1.Cc1ccc(C(=O)CC2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1F.O=C(CC1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1cccnc1.
What is the InChIKey of 4,7-dichloro-3-[2-(3-fluoro-4-methylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one;methane?
The InChIKey is NLJSTOCWCUBEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2FNO3.C17H13Cl2NO3.C15H10Cl2N2O3.CH4/c1-8-2-3-9(6-12(8)20)13(22)7-17(24)14-10(18)4-5-11(19)15(14)21-16(17)23;1-9-2-4-10(5-3-9)13(21)8-17(23)14-11(18)6-7-12(19)15(14)20-16(17)22;16-9-3-4-10(17)13-12(9)15(22,14(21)19-13)6-11(20)8-2-1-5-18-7-8;/h2-6,24H,7H2,1H3,(H,21,23);2-7,23H,8H2,1H3,(H,20,22);1-5,7,22H,6H2,(H,19,21);1H4.
What are the key properties of 4,7-dichloro-3-[2-(3-fluoro-4-methylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one;methane?
4,7-dichloro-3-[2-(3-fluoro-4-methylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one;methane has a molecular weight of 1071.60 g/mol, XLogP of 11.01, 9 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dichloro-3-[2-(3-fluoro-4-methylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one;4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one;methane is sourced from PubChem (CID 159814062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).