2-[(2,4-dichlorophenyl)methylideneamino]oxy-N-pentan-3-ylacetamide

C14H18Cl2N2O2 — CID 2436771

IUPAC2-[(2,4-dichlorophenyl)methylideneamino]oxy-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CON=Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H18Cl2N2O2/c1-3-12(4-2)18-14(19)9-20-17-8-10-5-6-11(15)7-13(10)16/h5-8,12H,3-4,9H2,1-2H3,(H,18,19)
InChIKeyXESXTYIREMVVGR-UHFFFAOYSA-N
MW317.22 g/mol
LogP3.65
Rot. Bonds7

About 2-[(2,4-dichlorophenyl)methylideneamino]oxy-N-pentan-3-ylacetamide

2-[(2,4-dichlorophenyl)methylideneamino]oxy-N-pentan-3-ylacetamide (PubChem CID 2436771) has the molecular formula C14H18Cl2N2O2 and a molecular weight of 317.22 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methylideneamino]oxy-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methylideneamino]oxy-N-pentan-3-ylacetamide
PubChem CID2436771
Molecular FormulaC14H18Cl2N2O2
Molecular Weight317.22 g/mol
Exact Mass316.07
IUPAC Name2-[(2,4-dichlorophenyl)methylideneamino]oxy-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CON=Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H18Cl2N2O2/c1-3-12(4-2)18-14(19)9-20-17-8-10-5-6-11(15)7-13(10)16/h5-8,12H,3-4,9H2,1-2H3,(H,18,19)
InChIKeyXESXTYIREMVVGR-UHFFFAOYSA-N
XLogP3.65
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[(E)-(2,4-dichlorophenyl)methylideneamino]oxyacetate
CID 173365405
propyl 3-[(E)-(2,4-dichlorophenyl)methylideneamino]oxypropanoate
CID 173365406
3-(2,6-dichlorophenyl)-N'-[2-[(2,4-dichlorophenyl)methylideneamino]oxyacetyl]-5-methyl-1,2-oxazole-4-carbohydrazide
CID 2804484
(E)-1-(2,4-dichlorophenyl)-N-prop-2-enoxymethanimine
CID 173365422
N-[(2,4-dichlorophenyl)methyl]-2-[(Z)-(2-methylphenyl)methylideneamino]oxyacetamide
CID 7670318
2-(4-chloro-2-methylphenoxy)-N-pentan-3-ylacetamide
CID 112779196
2-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-pentan-3-ylacetamide
CID 63364503
2,4-dichloro-N-pentan-3-ylbenzamide
CID 884996
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide
CID 6162520
N-(4-chloro-2-methylphenyl)-2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxyacetamide
CID 7701325
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-pentan-3-ylacetamide
CID 2438469
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] (E)-3-(2,4-dichlorophenyl)prop-2-enoate
CID 2515900

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methylideneamino]oxy-N-pentan-3-ylacetamide?
The IUPAC name of 2-[(2,4-dichlorophenyl)methylideneamino]oxy-N-pentan-3-ylacetamide (CID 2436771) is 2-[(2,4-dichlorophenyl)methylideneamino]oxy-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methylideneamino]oxy-N-pentan-3-ylacetamide?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methylideneamino]oxy-N-pentan-3-ylacetamide is CCC(CC)NC(=O)CON=Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methylideneamino]oxy-N-pentan-3-ylacetamide?
The InChIKey is XESXTYIREMVVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2/c1-3-12(4-2)18-14(19)9-20-17-8-10-5-6-11(15)7-13(10)16/h5-8,12H,3-4,9H2,1-2H3,(H,18,19).
What are the key properties of 2-[(2,4-dichlorophenyl)methylideneamino]oxy-N-pentan-3-ylacetamide?
2-[(2,4-dichlorophenyl)methylideneamino]oxy-N-pentan-3-ylacetamide has a molecular weight of 317.22 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methylideneamino]oxy-N-pentan-3-ylacetamide is sourced from PubChem (CID 2436771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).