2-chloro-2-[(2-chlorophenyl)methylideneamino]oxy-N,N-diethylacetamide

C13H16Cl2N2O2 — CID 173428303

IUPAC2-chloro-2-[(2-chlorophenyl)methylideneamino]oxy-N,N-diethylacetamide
SMILESCCN(CC)C(=O)C(Cl)ON=Cc1ccccc1Cl
InChIInChI=1S/C13H16Cl2N2O2/c1-3-17(4-2)13(18)12(15)19-16-9-10-7-5-6-8-11(10)14/h5-9,12H,3-4H2,1-2H3
InChIKeySQLZWUUESFDEON-UHFFFAOYSA-N
MW303.19 g/mol
LogP3.12
Rot. Bonds6

About 2-chloro-2-[(2-chlorophenyl)methylideneamino]oxy-N,N-diethylacetamide

2-chloro-2-[(2-chlorophenyl)methylideneamino]oxy-N,N-diethylacetamide (PubChem CID 173428303) has the molecular formula C13H16Cl2N2O2 and a molecular weight of 303.19 g/mol. Its IUPAC name is 2-chloro-2-[(2-chlorophenyl)methylideneamino]oxy-N,N-diethylacetamide.

Molecular Properties

Compound Name2-chloro-2-[(2-chlorophenyl)methylideneamino]oxy-N,N-diethylacetamide
PubChem CID173428303
Molecular FormulaC13H16Cl2N2O2
Molecular Weight303.19 g/mol
Exact Mass302.06
IUPAC Name2-chloro-2-[(2-chlorophenyl)methylideneamino]oxy-N,N-diethylacetamide
SMILESCCN(CC)C(=O)C(Cl)ON=Cc1ccccc1Cl
InChIInChI=1S/C13H16Cl2N2O2/c1-3-17(4-2)13(18)12(15)19-16-9-10-7-5-6-8-11(10)14/h5-9,12H,3-4H2,1-2H3
InChIKeySQLZWUUESFDEON-UHFFFAOYSA-N
XLogP3.12
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-2-[(2-chlorophenyl)methylideneamino]oxyacetyl chloride
CID 86739160
2-chloro-2-(2,6-dichlorophenyl)-N,N-diethylacetamide
CID 55048250
2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]-ethylamino]acetic acid
CID 54901044
methyl 2-[[2-(2-chlorophenyl)sulfanylacetyl]-ethylamino]acetate
CID 54979578
2-(2-chlorophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)propanamide
CID 134037927
3-(2-chlorophenyl)-N-(diethylcarbamothioyl)prop-2-enamide
CID 4508506
4-amino-2-(2-chlorophenyl)-N,N-diethylbutanamide
CID 112517449
2-[(2,6-dichlorophenyl)methylideneamino]oxybutanamide
CID 57093096
N-[(2-chlorophenyl)methyl]-N-ethyl-2,2-difluoroacetamide
CID 103514772
N-benzoyl-N-[(2-chlorophenyl)methylideneamino]benzamide
CID 154037448
[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] (E)-3-(2-chlorophenyl)prop-2-enoate
CID 9285745
(E)-1-(2-chlorophenyl)-N-(diethoxyphosphorylmethyl)methanimine
CID 13117188

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-[(2-chlorophenyl)methylideneamino]oxy-N,N-diethylacetamide?
The IUPAC name of 2-chloro-2-[(2-chlorophenyl)methylideneamino]oxy-N,N-diethylacetamide (CID 173428303) is 2-chloro-2-[(2-chlorophenyl)methylideneamino]oxy-N,N-diethylacetamide.
What is the SMILES notation for 2-chloro-2-[(2-chlorophenyl)methylideneamino]oxy-N,N-diethylacetamide?
The canonical SMILES for 2-chloro-2-[(2-chlorophenyl)methylideneamino]oxy-N,N-diethylacetamide is CCN(CC)C(=O)C(Cl)ON=Cc1ccccc1Cl.
What is the InChIKey of 2-chloro-2-[(2-chlorophenyl)methylideneamino]oxy-N,N-diethylacetamide?
The InChIKey is SQLZWUUESFDEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2/c1-3-17(4-2)13(18)12(15)19-16-9-10-7-5-6-8-11(10)14/h5-9,12H,3-4H2,1-2H3.
What are the key properties of 2-chloro-2-[(2-chlorophenyl)methylideneamino]oxy-N,N-diethylacetamide?
2-chloro-2-[(2-chlorophenyl)methylideneamino]oxy-N,N-diethylacetamide has a molecular weight of 303.19 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-[(2-chlorophenyl)methylideneamino]oxy-N,N-diethylacetamide is sourced from PubChem (CID 173428303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).