[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate

C20H19ClN2O5 — CID 7577932

IUPAC[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
SMILESO=C(COC(=O)COc1ccc2c(c1)CCC2)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H19ClN2O5/c21-16-7-4-14(5-8-16)20(26)23-22-18(24)11-28-19(25)12-27-17-9-6-13-2-1-3-15(13)10-17/h4-10H,1-3,11-12H2,(H,22,24)(H,23,26)
InChIKeyPPOXJVJLALXYOI-UHFFFAOYSA-N
MW402.83 g/mol
LogP2.21
Rot. Bonds6

About [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate

[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate (PubChem CID 7577932) has the molecular formula C20H19ClN2O5 and a molecular weight of 402.83 g/mol. Its IUPAC name is [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate.

Molecular Properties

Compound Name[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
PubChem CID7577932
Molecular FormulaC20H19ClN2O5
Molecular Weight402.83 g/mol
Exact Mass402.10
IUPAC Name[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
SMILESO=C(COC(=O)COc1ccc2c(c1)CCC2)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H19ClN2O5/c21-16-7-4-14(5-8-16)20(26)23-22-18(24)11-28-19(25)12-27-17-9-6-13-2-1-3-15(13)10-17/h4-10H,1-3,11-12H2,(H,22,24)(H,23,26)
InChIKeyPPOXJVJLALXYOI-UHFFFAOYSA-N
XLogP2.21
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.83
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 4803012
1-(4-chlorophenyl)-2-(2,3-dihydro-1H-inden-5-yloxy)ethanone
CID 43411846
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
CID 7853731
[2-(3-chloroanilino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 4803026
[2-(2-chloroanilino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 4801554
methyl 4-[[2-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]oxyacetyl]amino]benzoate
CID 7235156
N'-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-4-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 4786821
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 4673954
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 7235167
methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 43082820
2-(4-chlorophenoxy)-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]acetamide
CID 113101452
N'-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-2-methylbenzohydrazide
CID 9220922

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate?
The IUPAC name of [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate (CID 7577932) is [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate.
What is the SMILES notation for [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate?
The canonical SMILES for [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate is O=C(COC(=O)COc1ccc2c(c1)CCC2)NNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate?
The InChIKey is PPOXJVJLALXYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O5/c21-16-7-4-14(5-8-16)20(26)23-22-18(24)11-28-19(25)12-27-17-9-6-13-2-1-3-15(13)10-17/h4-10H,1-3,11-12H2,(H,22,24)(H,23,26).
What are the key properties of [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate?
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate has a molecular weight of 402.83 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate is sourced from PubChem (CID 7577932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).