2-[(3,4-dichloro-6,9-dioxo-8a-propyl-7,8-dihydrofluoren-2-yl)oxy]acetamide;2-[(3,4-dichloro-6,9-dioxo-8a-propyl-7,8-dihydrofluoren-2-yl)oxy]acetic acid

C36H33Cl4NO9 — CID 70387287

IUPAC2-[(3,4-dichloro-6,9-dioxo-8a-propyl-7,8-dihydrofluoren-2-yl)oxy]acetamide;2-[(3,4-dichloro-6,9-dioxo-8a-propyl-7,8-dihydrofluoren-2-yl)oxy]acetic acid
SMILESCCCC12CCC(=O)C=C1c1c(cc(OCC(=O)O)c(Cl)c1Cl)C2=O.CCCC12CCC(=O)C=C1c1c(cc(OCC(N)=O)c(Cl)c1Cl)C2=O
InChIInChI=1S/C18H17Cl2NO4.C18H16Cl2O5/c1-2-4-18-5-3-9(22)6-11(18)14-10(17(18)24)7-12(15(19)16(14)20)25-8-13(21)23;1-2-4-18-5-3-9(21)6-11(18)14-10(17(18)24)7-12(15(19)16(14)20)25-8-13(22)23/h6-7H,2-5,8H2,1H3,(H2,21,23);6-7H,2-5,8H2,1H3,(H,22,23)
InChIKeyCVHJLFDWYWJJDX-UHFFFAOYSA-N
MW765.47 g/mol
LogP7.77
Rot. Bonds10

About 2-[(3,4-dichloro-6,9-dioxo-8a-propyl-7,8-dihydrofluoren-2-yl)oxy]acetamide;2-[(3,4-dichloro-6,9-dioxo-8a-propyl-7,8-dihydrofluoren-2-yl)oxy]acetic acid

2-[(3,4-dichloro-6,9-dioxo-8a-propyl-7,8-dihydrofluoren-2-yl)oxy]acetamide;2-[(3,4-dichloro-6,9-dioxo-8a-propyl-7,8-dihydrofluoren-2-yl)oxy]acetic acid (PubChem CID 70387287) has the molecular formula C36H33Cl4NO9 and a molecular weight of 765.47 g/mol. Its IUPAC name is 2-[(3,4-dichloro-6,9-dioxo-8a-propyl-7,8-dihydrofluoren-2-yl)oxy]acetamide;2-[(3,4-dichloro-6,9-dioxo-8a-propyl-7,8-dihydrofluoren-2-yl)oxy]acetic acid.

Molecular Properties

Compound Name2-[(3,4-dichloro-6,9-dioxo-8a-propyl-7,8-dihydrofluoren-2-yl)oxy]acetamide;2-[(3,4-dichloro-6,9-dioxo-8a-propyl-7,8-dihydrofluoren-2-yl)oxy]acetic acid
PubChem CID70387287
Molecular FormulaC36H33Cl4NO9
Molecular Weight765.47 g/mol
Exact Mass763.09
IUPAC Name2-[(3,4-dichloro-6,9-dioxo-8a-propyl-7,8-dihydrofluoren-2-yl)oxy]acetamide;2-[(3,4-dichloro-6,9-dioxo-8a-propyl-7,8-dihydrofluoren-2-yl)oxy]acetic acid
SMILESCCCC12CCC(=O)C=C1c1c(cc(OCC(=O)O)c(Cl)c1Cl)C2=O.CCCC12CCC(=O)C=C1c1c(cc(OCC(N)=O)c(Cl)c1Cl)C2=O
InChIInChI=1S/C18H17Cl2NO4.C18H16Cl2O5/c1-2-4-18-5-3-9(22)6-11(18)14-10(17(18)24)7-12(15(19)16(14)20)25-8-13(21)23;1-2-4-18-5-3-9(21)6-11(18)14-10(17(18)24)7-12(15(19)16(14)20)25-8-13(22)23/h6-7H,2-5,8H2,1H3,(H2,21,23);6-7H,2-5,8H2,1H3,(H,22,23)
InChIKeyCVHJLFDWYWJJDX-UHFFFAOYSA-N
XLogP7.77
TPSA167.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.47
LogP ≤ 57.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[(3,4-dichloro-6,9-dioxo-8a-propyl-7,8-dihydrofluoren-2-yl)oxy]acetamide;2-[(3,4-dichloro-6,9-dioxo-8a-propyl-7,8-dihydrofluoren-2-yl)oxy]acetic acid with MolForge

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Related Compounds

4-amino-2,3-bis[(3,4-dichloro-6,9-dioxo-8a-propyl-7,8-dihydrofluoren-2-yl)oxy]-4-oxobutanoic acid
CID 70387289
2-[[(8aR)-3,4-dichloro-8a-ethyl-6-oxo-8,9-dihydro-7H-fluoren-2-yl]oxy]acetic acid
CID 12806940
2-[[(8aR)-9-acetyloxy-3,4-dichloro-6-oxo-8a-propyl-8,9-dihydro-7H-fluoren-2-yl]oxy]acetic acid
CID 22841135
2-[(3,4-dichloro-6-oxo-8a-propyl-7,8,9,10-tetrahydrophenanthren-2-yl)oxy]ethanimidamide
CID 21289571
2-[[(8aR)-3,4-dichloro-6-oxo-8a-propyl-8,9-dihydro-7H-fluoren-2-yl]oxy]-N'-methylethanimidamide;hydrochloride
CID 70438284
2-[(3,4-dichloro-6-oxo-8a-propyl-8,9-dihydro-7H-fluoren-2-yl)oxy]-N-methylsulfonylacetamide
CID 14306607
2-[[2-butyl-6,7-dichloro-1-oxo-2-(3-oxobutyl)-3H-inden-5-yl]oxy]acetic acid
CID 20520862
2-[(6,7-dichloro-2-cyclopropyl-2-methyl-1-oxo-3H-inden-5-yl)oxy]acetic acid
CID 70552076
2-[[6,7-dichloro-2-(4-chlorophenyl)-1-oxo-2-prop-2-ynyl-3H-inden-5-yl]oxy]acetic acid
CID 12774095
2-[[6,7-dichloro-2-(cyclopropylmethyl)-1-oxo-2-(3-oxobutyl)-3H-inden-5-yl]oxy]acetic acid
CID 20520771
2-[(3,4-dichloro-8a-ethyl-6-oxo-8,9-dihydro-7H-fluoren-2-yl)oxy]-5-hydroxy-4-oxopentanoic acid
CID 70517272
2-[(5,6-dichloro-9a-ethyl-3-oxo-2,9-dihydro-1H-fluoren-9-yl)oxy]acetic acid
CID 20520821

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichloro-6,9-dioxo-8a-propyl-7,8-dihydrofluoren-2-yl)oxy]acetamide;2-[(3,4-dichloro-6,9-dioxo-8a-propyl-7,8-dihydrofluoren-2-yl)oxy]acetic acid?
The IUPAC name of 2-[(3,4-dichloro-6,9-dioxo-8a-propyl-7,8-dihydrofluoren-2-yl)oxy]acetamide;2-[(3,4-dichloro-6,9-dioxo-8a-propyl-7,8-dihydrofluoren-2-yl)oxy]acetic acid (CID 70387287) is 2-[(3,4-dichloro-6,9-dioxo-8a-propyl-7,8-dihydrofluoren-2-yl)oxy]acetamide;2-[(3,4-dichloro-6,9-dioxo-8a-propyl-7,8-dihydrofluoren-2-yl)oxy]acetic acid.
What is the SMILES notation for 2-[(3,4-dichloro-6,9-dioxo-8a-propyl-7,8-dihydrofluoren-2-yl)oxy]acetamide;2-[(3,4-dichloro-6,9-dioxo-8a-propyl-7,8-dihydrofluoren-2-yl)oxy]acetic acid?
The canonical SMILES for 2-[(3,4-dichloro-6,9-dioxo-8a-propyl-7,8-dihydrofluoren-2-yl)oxy]acetamide;2-[(3,4-dichloro-6,9-dioxo-8a-propyl-7,8-dihydrofluoren-2-yl)oxy]acetic acid is CCCC12CCC(=O)C=C1c1c(cc(OCC(=O)O)c(Cl)c1Cl)C2=O.CCCC12CCC(=O)C=C1c1c(cc(OCC(N)=O)c(Cl)c1Cl)C2=O.
What is the InChIKey of 2-[(3,4-dichloro-6,9-dioxo-8a-propyl-7,8-dihydrofluoren-2-yl)oxy]acetamide;2-[(3,4-dichloro-6,9-dioxo-8a-propyl-7,8-dihydrofluoren-2-yl)oxy]acetic acid?
The InChIKey is CVHJLFDWYWJJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO4.C18H16Cl2O5/c1-2-4-18-5-3-9(22)6-11(18)14-10(17(18)24)7-12(15(19)16(14)20)25-8-13(21)23;1-2-4-18-5-3-9(21)6-11(18)14-10(17(18)24)7-12(15(19)16(14)20)25-8-13(22)23/h6-7H,2-5,8H2,1H3,(H2,21,23);6-7H,2-5,8H2,1H3,(H,22,23).
What are the key properties of 2-[(3,4-dichloro-6,9-dioxo-8a-propyl-7,8-dihydrofluoren-2-yl)oxy]acetamide;2-[(3,4-dichloro-6,9-dioxo-8a-propyl-7,8-dihydrofluoren-2-yl)oxy]acetic acid?
2-[(3,4-dichloro-6,9-dioxo-8a-propyl-7,8-dihydrofluoren-2-yl)oxy]acetamide;2-[(3,4-dichloro-6,9-dioxo-8a-propyl-7,8-dihydrofluoren-2-yl)oxy]acetic acid has a molecular weight of 765.47 g/mol, XLogP of 7.77, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichloro-6,9-dioxo-8a-propyl-7,8-dihydrofluoren-2-yl)oxy]acetamide;2-[(3,4-dichloro-6,9-dioxo-8a-propyl-7,8-dihydrofluoren-2-yl)oxy]acetic acid is sourced from PubChem (CID 70387287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).