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

C15H16Cl2N2O4 — CID 4875570

IUPAC[2-(benzylcarbamoylamino)-2-oxoethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate
SMILESCC1(C(=O)OCC(=O)NC(=O)NCc2ccccc2)CC1(Cl)Cl
InChIInChI=1S/C15H16Cl2N2O4/c1-14(9-15(14,16)17)12(21)23-8-11(20)19-13(22)18-7-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H2,18,19,20,22)
InChIKeyLVKAENKRGFKSDI-UHFFFAOYSA-N
MW359.21 g/mol
LogP2.14
Rot. Bonds5

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

[2-(benzylcarbamoylamino)-2-oxoethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate (PubChem CID 4875570) has the molecular formula C15H16Cl2N2O4 and a molecular weight of 359.21 g/mol. Its IUPAC name is [2-(benzylcarbamoylamino)-2-oxoethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name[2-(benzylcarbamoylamino)-2-oxoethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate
PubChem CID4875570
Molecular FormulaC15H16Cl2N2O4
Molecular Weight359.21 g/mol
Exact Mass358.05
IUPAC Name[2-(benzylcarbamoylamino)-2-oxoethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate
SMILESCC1(C(=O)OCC(=O)NC(=O)NCc2ccccc2)CC1(Cl)Cl
InChIInChI=1S/C15H16Cl2N2O4/c1-14(9-15(14,16)17)12(21)23-8-11(20)19-13(22)18-7-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H2,18,19,20,22)
InChIKeyLVKAENKRGFKSDI-UHFFFAOYSA-N
XLogP2.14
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.21
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(Benzylcarbamoylamino)-2-oxoethyl] cyclopropanecarboxylate
CID 3889313
[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 4366845
[2-[(6-Amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 24687518
[2-Oxo-2-(1-phenylethylamino)ethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 3577083
[2-[(6-Amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-2-oxoethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 24687945
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] (1S)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 2618898
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 2618900
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 8224096
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] (1S)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 8224101
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 8224150
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] (1S)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 8224154
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 9454480

Frequently Asked Questions

What is the IUPAC name of [2-(benzylcarbamoylamino)-2-oxoethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate?
The IUPAC name of [2-(benzylcarbamoylamino)-2-oxoethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate (CID 4875570) is [2-(benzylcarbamoylamino)-2-oxoethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate.
What is the SMILES notation for [2-(benzylcarbamoylamino)-2-oxoethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate?
The canonical SMILES for [2-(benzylcarbamoylamino)-2-oxoethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate is CC1(C(=O)OCC(=O)NC(=O)NCc2ccccc2)CC1(Cl)Cl.
What is the InChIKey of [2-(benzylcarbamoylamino)-2-oxoethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate?
The InChIKey is LVKAENKRGFKSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O4/c1-14(9-15(14,16)17)12(21)23-8-11(20)19-13(22)18-7-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H2,18,19,20,22).
What are the key properties of [2-(benzylcarbamoylamino)-2-oxoethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate?
[2-(benzylcarbamoylamino)-2-oxoethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate has a molecular weight of 359.21 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylcarbamoylamino)-2-oxoethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 4875570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).