N-(4-chloro-2-methylphenyl)-2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxyacetamide

C16H13Cl3N2O2 — CID 7701325

IUPACN-(4-chloro-2-methylphenyl)-2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxyacetamide
SMILESCc1cc(Cl)ccc1NC(=O)CO/N=C\c1cccc(Cl)c1Cl
InChIInChI=1S/C16H13Cl3N2O2/c1-10-7-12(17)5-6-14(10)21-15(22)9-23-20-8-11-3-2-4-13(18)16(11)19/h2-8H,9H2,1H3,(H,21,22)/b20-8-
InChIKeyRKUHUTWDGGIDDX-ZBKNUEDVSA-N
MW371.65 g/mol
LogP4.94
Rot. Bonds5

About N-(4-chloro-2-methylphenyl)-2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxyacetamide

N-(4-chloro-2-methylphenyl)-2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxyacetamide (PubChem CID 7701325) has the molecular formula C16H13Cl3N2O2 and a molecular weight of 371.65 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxyacetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxyacetamide
PubChem CID7701325
Molecular FormulaC16H13Cl3N2O2
Molecular Weight371.65 g/mol
Exact Mass370.00
IUPAC NameN-(4-chloro-2-methylphenyl)-2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxyacetamide
SMILESCc1cc(Cl)ccc1NC(=O)CO/N=C\c1cccc(Cl)c1Cl
InChIInChI=1S/C16H13Cl3N2O2/c1-10-7-12(17)5-6-14(10)21-15(22)9-23-20-8-11-3-2-4-13(18)16(11)19/h2-8H,9H2,1H3,(H,21,22)/b20-8-
InChIKeyRKUHUTWDGGIDDX-ZBKNUEDVSA-N
XLogP4.94
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.65
LogP ≤ 54.94
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

2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxy-N-(3-methylphenyl)acetamide
CID 7701194
2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxy-N-(2-methoxy-5-methylphenyl)acetamide
CID 7701196
N-(4-chloro-2-methylphenyl)-2-[(Z)-[2-(2,4-dimethylanilino)-2-oxoethylidene]amino]oxyacetamide
CID 7665896
N-(3-chlorophenyl)-2-[(Z)-(2-fluorophenyl)methylideneamino]oxyacetamide
CID 7703265
N-benzyl-2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxyacetamide
CID 7701233
2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxy-N-(propylcarbamoyl)acetamide
CID 7701446
N-(2-chloro-4-methylphenyl)-2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxyacetamide
CID 7703823
N-(4-chloro-2-methylphenyl)-2-(3-chlorophenoxy)acetamide
CID 2707661
N-(3-chlorophenyl)-2-[(Z)-(2-methoxyphenyl)methylideneamino]oxyacetamide
CID 7664020
2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(2,4-dimethylphenyl)acetamide
CID 7644362
N-(5-chloro-2-methylphenyl)-N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxamide
CID 6264911
N-[(2,4-dichlorophenyl)methyl]-2-[(Z)-(2-methylphenyl)methylideneamino]oxyacetamide
CID 7670318

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxyacetamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxyacetamide (CID 7701325) is N-(4-chloro-2-methylphenyl)-2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxyacetamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxyacetamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxyacetamide is Cc1cc(Cl)ccc1NC(=O)CO/N=C\c1cccc(Cl)c1Cl.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxyacetamide?
The InChIKey is RKUHUTWDGGIDDX-ZBKNUEDVSA-N. The full InChI is InChI=1S/C16H13Cl3N2O2/c1-10-7-12(17)5-6-14(10)21-15(22)9-23-20-8-11-3-2-4-13(18)16(11)19/h2-8H,9H2,1H3,(H,21,22)/b20-8-.
What are the key properties of N-(4-chloro-2-methylphenyl)-2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxyacetamide?
N-(4-chloro-2-methylphenyl)-2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxyacetamide has a molecular weight of 371.65 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxyacetamide is sourced from PubChem (CID 7701325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).