2-(2,4-dichlorophenoxy)-N-(pyridin-2-ylmethylideneamino)acetamide

C14H11Cl2N3O2 — CID 639603

IUPAC2-(2,4-dichlorophenoxy)-N-(pyridin-2-ylmethylideneamino)acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NN=Cc1ccccn1
InChIInChI=1S/C14H11Cl2N3O2/c15-10-4-5-13(12(16)7-10)21-9-14(20)19-18-8-11-3-1-2-6-17-11/h1-8H,9H2,(H,19,20)
InChIKeyVCTZGXSKJCCTPE-UHFFFAOYSA-N
MW324.17 g/mol
LogP2.92
Rot. Bonds5

About 2-(2,4-dichlorophenoxy)-N-(pyridin-2-ylmethylideneamino)acetamide

2-(2,4-dichlorophenoxy)-N-(pyridin-2-ylmethylideneamino)acetamide (PubChem CID 639603) has the molecular formula C14H11Cl2N3O2 and a molecular weight of 324.17 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(pyridin-2-ylmethylideneamino)acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-(pyridin-2-ylmethylideneamino)acetamide
PubChem CID639603
Molecular FormulaC14H11Cl2N3O2
Molecular Weight324.17 g/mol
Exact Mass323.02
IUPAC Name2-(2,4-dichlorophenoxy)-N-(pyridin-2-ylmethylideneamino)acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NN=Cc1ccccn1
InChIInChI=1S/C14H11Cl2N3O2/c15-10-4-5-13(12(16)7-10)21-9-14(20)19-18-8-11-3-1-2-6-17-11/h1-8H,9H2,(H,19,20)
InChIKeyVCTZGXSKJCCTPE-UHFFFAOYSA-N
XLogP2.92
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-chlorophenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
CID 5413877
N-[(E)-benzylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 6870666
2-(2,4-dichlorophenoxy)-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide
CID 6870038
2-(2,4-dichlorophenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide
CID 831066
2-(2,4-dichlorophenoxy)-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]acetamide
CID 9060397
N-[(Z)-(3-chloro-4-methoxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 7332440
2-(4-tert-butyl-2-methylphenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
CID 7037195
2-(2,4-dichlorophenoxy)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 6153860
2-(2,4-dichlorophenoxy)-N-pyridin-2-ylacetamide
CID 792334
N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 135559947
2-(2,4-dichlorophenoxy)-N-[(4-fluorophenyl)methylideneamino]acetamide
CID 667961
copper(1+);2-(2,4-dichlorophenoxy)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide;isothiocyanate;hydrate
CID 135773424

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-(pyridin-2-ylmethylideneamino)acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(pyridin-2-ylmethylideneamino)acetamide (CID 639603) is 2-(2,4-dichlorophenoxy)-N-(pyridin-2-ylmethylideneamino)acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(pyridin-2-ylmethylideneamino)acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(pyridin-2-ylmethylideneamino)acetamide is O=C(COc1ccc(Cl)cc1Cl)NN=Cc1ccccn1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(pyridin-2-ylmethylideneamino)acetamide?
The InChIKey is VCTZGXSKJCCTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O2/c15-10-4-5-13(12(16)7-10)21-9-14(20)19-18-8-11-3-1-2-6-17-11/h1-8H,9H2,(H,19,20).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-(pyridin-2-ylmethylideneamino)acetamide?
2-(2,4-dichlorophenoxy)-N-(pyridin-2-ylmethylideneamino)acetamide has a molecular weight of 324.17 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-(pyridin-2-ylmethylideneamino)acetamide is sourced from PubChem (CID 639603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).