4,7-dichloro-3-[2-(4-methoxycyclohexyl)-2-oxoethyl]-1,3-dihydroindol-2-one;ethane

C19H25Cl2NO3 — CID 142278911

IUPAC4,7-dichloro-3-[2-(4-methoxycyclohexyl)-2-oxoethyl]-1,3-dihydroindol-2-one;ethane
SMILESCC.COC1CCC(C(=O)CC2C(=O)Nc3c(Cl)ccc(Cl)c32)CC1
InChIInChI=1S/C17H19Cl2NO3.C2H6/c1-23-10-4-2-9(3-5-10)14(21)8-11-15-12(18)6-7-13(19)16(15)20-17(11)22;1-2/h6-7,9-11H,2-5,8H2,1H3,(H,20,22);1-2H3
InChIKeyMVFPTHIIJYXMIM-UHFFFAOYSA-N
MW386.32 g/mol
LogP5.22
Rot. Bonds4

About 4,7-dichloro-3-[2-(4-methoxycyclohexyl)-2-oxoethyl]-1,3-dihydroindol-2-one;ethane

4,7-dichloro-3-[2-(4-methoxycyclohexyl)-2-oxoethyl]-1,3-dihydroindol-2-one;ethane (PubChem CID 142278911) has the molecular formula C19H25Cl2NO3 and a molecular weight of 386.32 g/mol. Its IUPAC name is 4,7-dichloro-3-[2-(4-methoxycyclohexyl)-2-oxoethyl]-1,3-dihydroindol-2-one;ethane.

Molecular Properties

Compound Name4,7-dichloro-3-[2-(4-methoxycyclohexyl)-2-oxoethyl]-1,3-dihydroindol-2-one;ethane
PubChem CID142278911
Molecular FormulaC19H25Cl2NO3
Molecular Weight386.32 g/mol
Exact Mass385.12
IUPAC Name4,7-dichloro-3-[2-(4-methoxycyclohexyl)-2-oxoethyl]-1,3-dihydroindol-2-one;ethane
SMILESCC.COC1CCC(C(=O)CC2C(=O)Nc3c(Cl)ccc(Cl)c32)CC1
InChIInChI=1S/C17H19Cl2NO3.C2H6/c1-23-10-4-2-9(3-5-10)14(21)8-11-15-12(18)6-7-13(19)16(15)20-17(11)22;1-2/h6-7,9-11H,2-5,8H2,1H3,(H,20,22);1-2H3
InChIKeyMVFPTHIIJYXMIM-UHFFFAOYSA-N
XLogP5.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.32
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,7-dichloro-3-[2-(4-methoxycyclohexyl)-2-oxoethyl]-1,3-dihydroindol-2-one;ethane?
The IUPAC name of 4,7-dichloro-3-[2-(4-methoxycyclohexyl)-2-oxoethyl]-1,3-dihydroindol-2-one;ethane (CID 142278911) is 4,7-dichloro-3-[2-(4-methoxycyclohexyl)-2-oxoethyl]-1,3-dihydroindol-2-one;ethane.
What is the SMILES notation for 4,7-dichloro-3-[2-(4-methoxycyclohexyl)-2-oxoethyl]-1,3-dihydroindol-2-one;ethane?
The canonical SMILES for 4,7-dichloro-3-[2-(4-methoxycyclohexyl)-2-oxoethyl]-1,3-dihydroindol-2-one;ethane is CC.COC1CCC(C(=O)CC2C(=O)Nc3c(Cl)ccc(Cl)c32)CC1.
What is the InChIKey of 4,7-dichloro-3-[2-(4-methoxycyclohexyl)-2-oxoethyl]-1,3-dihydroindol-2-one;ethane?
The InChIKey is MVFPTHIIJYXMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO3.C2H6/c1-23-10-4-2-9(3-5-10)14(21)8-11-15-12(18)6-7-13(19)16(15)20-17(11)22;1-2/h6-7,9-11H,2-5,8H2,1H3,(H,20,22);1-2H3.
What are the key properties of 4,7-dichloro-3-[2-(4-methoxycyclohexyl)-2-oxoethyl]-1,3-dihydroindol-2-one;ethane?
4,7-dichloro-3-[2-(4-methoxycyclohexyl)-2-oxoethyl]-1,3-dihydroindol-2-one;ethane has a molecular weight of 386.32 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dichloro-3-[2-(4-methoxycyclohexyl)-2-oxoethyl]-1,3-dihydroindol-2-one;ethane is sourced from PubChem (CID 142278911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).