4,7-dichloro-3-[2-[2-fluoro-4-(2-methylcyclopropyl)phenyl]-2-oxoethyl]-3-hydroxy-1H-indol-2-one

C20H16Cl2FNO3 — CID 126667963

IUPAC4,7-dichloro-3-[2-[2-fluoro-4-(2-methylcyclopropyl)phenyl]-2-oxoethyl]-3-hydroxy-1H-indol-2-one
SMILESCC1CC1c1ccc(C(=O)CC2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)c(F)c1
InChIInChI=1S/C20H16Cl2FNO3/c1-9-6-12(9)10-2-3-11(15(23)7-10)16(25)8-20(27)17-13(21)4-5-14(22)18(17)24-19(20)26/h2-5,7,9,12,27H,6,8H2,1H3,(H,24,26)
InChIKeySUOIYGJPHZZBBR-UHFFFAOYSA-N
MW408.26 g/mol
LogP4.67
Rot. Bonds4

About 4,7-dichloro-3-[2-[2-fluoro-4-(2-methylcyclopropyl)phenyl]-2-oxoethyl]-3-hydroxy-1H-indol-2-one

4,7-dichloro-3-[2-[2-fluoro-4-(2-methylcyclopropyl)phenyl]-2-oxoethyl]-3-hydroxy-1H-indol-2-one (PubChem CID 126667963) has the molecular formula C20H16Cl2FNO3 and a molecular weight of 408.26 g/mol. Its IUPAC name is 4,7-dichloro-3-[2-[2-fluoro-4-(2-methylcyclopropyl)phenyl]-2-oxoethyl]-3-hydroxy-1H-indol-2-one.

Molecular Properties

Compound Name4,7-dichloro-3-[2-[2-fluoro-4-(2-methylcyclopropyl)phenyl]-2-oxoethyl]-3-hydroxy-1H-indol-2-one
PubChem CID126667963
Molecular FormulaC20H16Cl2FNO3
Molecular Weight408.26 g/mol
Exact Mass407.05
IUPAC Name4,7-dichloro-3-[2-[2-fluoro-4-(2-methylcyclopropyl)phenyl]-2-oxoethyl]-3-hydroxy-1H-indol-2-one
SMILESCC1CC1c1ccc(C(=O)CC2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)c(F)c1
InChIInChI=1S/C20H16Cl2FNO3/c1-9-6-12(9)10-2-3-11(15(23)7-10)16(25)8-20(27)17-13(21)4-5-14(22)18(17)24-19(20)26/h2-5,7,9,12,27H,6,8H2,1H3,(H,24,26)
InChIKeySUOIYGJPHZZBBR-UHFFFAOYSA-N
XLogP4.67
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.26
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,7-dichloro-3-[2-[2-fluoro-4-(2-methylcyclopropyl)phenyl]-2-oxoethyl]-3-hydroxy-1H-indol-2-one?
The IUPAC name of 4,7-dichloro-3-[2-[2-fluoro-4-(2-methylcyclopropyl)phenyl]-2-oxoethyl]-3-hydroxy-1H-indol-2-one (CID 126667963) is 4,7-dichloro-3-[2-[2-fluoro-4-(2-methylcyclopropyl)phenyl]-2-oxoethyl]-3-hydroxy-1H-indol-2-one.
What is the SMILES notation for 4,7-dichloro-3-[2-[2-fluoro-4-(2-methylcyclopropyl)phenyl]-2-oxoethyl]-3-hydroxy-1H-indol-2-one?
The canonical SMILES for 4,7-dichloro-3-[2-[2-fluoro-4-(2-methylcyclopropyl)phenyl]-2-oxoethyl]-3-hydroxy-1H-indol-2-one is CC1CC1c1ccc(C(=O)CC2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)c(F)c1.
What is the InChIKey of 4,7-dichloro-3-[2-[2-fluoro-4-(2-methylcyclopropyl)phenyl]-2-oxoethyl]-3-hydroxy-1H-indol-2-one?
The InChIKey is SUOIYGJPHZZBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2FNO3/c1-9-6-12(9)10-2-3-11(15(23)7-10)16(25)8-20(27)17-13(21)4-5-14(22)18(17)24-19(20)26/h2-5,7,9,12,27H,6,8H2,1H3,(H,24,26).
What are the key properties of 4,7-dichloro-3-[2-[2-fluoro-4-(2-methylcyclopropyl)phenyl]-2-oxoethyl]-3-hydroxy-1H-indol-2-one?
4,7-dichloro-3-[2-[2-fluoro-4-(2-methylcyclopropyl)phenyl]-2-oxoethyl]-3-hydroxy-1H-indol-2-one has a molecular weight of 408.26 g/mol, XLogP of 4.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dichloro-3-[2-[2-fluoro-4-(2-methylcyclopropyl)phenyl]-2-oxoethyl]-3-hydroxy-1H-indol-2-one is sourced from PubChem (CID 126667963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).