[2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 2,4-dichlorobenzoate

C17H11Cl2NO4 — CID 9487869

IUPAC[2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 2,4-dichlorobenzoate
SMILESO=C1Cc2cc(C(=O)COC(=O)c3ccc(Cl)cc3Cl)ccc2N1
InChIInChI=1S/C17H11Cl2NO4/c18-11-2-3-12(13(19)7-11)17(23)24-8-15(21)9-1-4-14-10(5-9)6-16(22)20-14/h1-5,7H,6,8H2,(H,20,22)
InChIKeyASHKQWWDMJCZCH-UHFFFAOYSA-N
MW364.18 g/mol
LogP3.53
Rot. Bonds4

About [2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 2,4-dichlorobenzoate

[2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 2,4-dichlorobenzoate (PubChem CID 9487869) has the molecular formula C17H11Cl2NO4 and a molecular weight of 364.18 g/mol. Its IUPAC name is [2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 2,4-dichlorobenzoate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 2,4-dichlorobenzoate
PubChem CID9487869
Molecular FormulaC17H11Cl2NO4
Molecular Weight364.18 g/mol
Exact Mass363.01
IUPAC Name[2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 2,4-dichlorobenzoate
SMILESO=C1Cc2cc(C(=O)COC(=O)c3ccc(Cl)cc3Cl)ccc2N1
InChIInChI=1S/C17H11Cl2NO4/c18-11-2-3-12(13(19)7-11)17(23)24-8-15(21)9-1-4-14-10(5-9)6-16(22)20-14/h1-5,7H,6,8H2,(H,20,22)
InChIKeyASHKQWWDMJCZCH-UHFFFAOYSA-N
XLogP3.53
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.18
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 4-bromo-2-fluorobenzoate
CID 9388030
[2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 4-methoxynaphthalene-1-carboxylate
CID 8597204
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3,5-dichloro-4-methoxybenzoate
CID 9126270
[2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 8647151
[2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] (E)-3-(7-chloro-1,3-benzodioxol-5-yl)prop-2-enoate
CID 8673961
[2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoate
CID 9457909
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-chlorobenzoate
CID 2409679
N-[(4-chlorophenyl)methyl]-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 110344819
[2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 2,4-dichlorobenzoate
CID 9487871
[2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] (2S)-2-benzamidopropanoate
CID 8753386
5-[2-(methylamino)acetyl]-1,3-dihydroindol-2-one
CID 82112676
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2,4-dichlorobenzoate
CID 7508273

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 2,4-dichlorobenzoate?
The IUPAC name of [2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 2,4-dichlorobenzoate (CID 9487869) is [2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 2,4-dichlorobenzoate.
What is the SMILES notation for [2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 2,4-dichlorobenzoate?
The canonical SMILES for [2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 2,4-dichlorobenzoate is O=C1Cc2cc(C(=O)COC(=O)c3ccc(Cl)cc3Cl)ccc2N1.
What is the InChIKey of [2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 2,4-dichlorobenzoate?
The InChIKey is ASHKQWWDMJCZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2NO4/c18-11-2-3-12(13(19)7-11)17(23)24-8-15(21)9-1-4-14-10(5-9)6-16(22)20-14/h1-5,7H,6,8H2,(H,20,22).
What are the key properties of [2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 2,4-dichlorobenzoate?
[2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 2,4-dichlorobenzoate has a molecular weight of 364.18 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 2,4-dichlorobenzoate is sourced from PubChem (CID 9487869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).