[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate

C14H14Cl2N2O4 — CID 5056127

IUPAC[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate
SMILESCC1(C(=O)OCC(=O)NNC(=O)c2ccccc2)CC1(Cl)Cl
InChIInChI=1S/C14H14Cl2N2O4/c1-13(8-14(13,15)16)12(21)22-7-10(19)17-18-11(20)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,17,19)(H,18,20)
InChIKeyLFOBTFIUZDGDEI-UHFFFAOYSA-N
MW345.18 g/mol
LogP1.57
Rot. Bonds4

About [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate

[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate (PubChem CID 5056127) has the molecular formula C14H14Cl2N2O4 and a molecular weight of 345.18 g/mol. Its IUPAC name is [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate
PubChem CID5056127
Molecular FormulaC14H14Cl2N2O4
Molecular Weight345.18 g/mol
Exact Mass344.03
IUPAC Name[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate
SMILESCC1(C(=O)OCC(=O)NNC(=O)c2ccccc2)CC1(Cl)Cl
InChIInChI=1S/C14H14Cl2N2O4/c1-13(8-14(13,15)16)12(21)22-7-10(19)17-18-11(20)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,17,19)(H,18,20)
InChIKeyLFOBTFIUZDGDEI-UHFFFAOYSA-N
XLogP1.57
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.18
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate?
The IUPAC name of [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate (CID 5056127) is [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate.
What is the SMILES notation for [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate?
The canonical SMILES for [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate is CC1(C(=O)OCC(=O)NNC(=O)c2ccccc2)CC1(Cl)Cl.
What is the InChIKey of [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate?
The InChIKey is LFOBTFIUZDGDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O4/c1-13(8-14(13,15)16)12(21)22-7-10(19)17-18-11(20)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,17,19)(H,18,20).
What are the key properties of [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate?
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate has a molecular weight of 345.18 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 5056127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).