2-(2-cyanophenoxy)-N-[(2,6-dichlorophenyl)methylideneamino]acetamide

C16H11Cl2N3O2 — CID 780706

IUPAC2-(2-cyanophenoxy)-N-[(2,6-dichlorophenyl)methylideneamino]acetamide
SMILESN#Cc1ccccc1OCC(=O)NN=Cc1c(Cl)cccc1Cl
InChIInChI=1S/C16H11Cl2N3O2/c17-13-5-3-6-14(18)12(13)9-20-21-16(22)10-23-15-7-2-1-4-11(15)8-19/h1-7,9H,10H2,(H,21,22)
InChIKeyCSELQVQNDORWKS-UHFFFAOYSA-N
MW348.19 g/mol
LogP3.39
Rot. Bonds5

About 2-(2-cyanophenoxy)-N-[(2,6-dichlorophenyl)methylideneamino]acetamide

2-(2-cyanophenoxy)-N-[(2,6-dichlorophenyl)methylideneamino]acetamide (PubChem CID 780706) has the molecular formula C16H11Cl2N3O2 and a molecular weight of 348.19 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-[(2,6-dichlorophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-[(2,6-dichlorophenyl)methylideneamino]acetamide
PubChem CID780706
Molecular FormulaC16H11Cl2N3O2
Molecular Weight348.19 g/mol
Exact Mass347.02
IUPAC Name2-(2-cyanophenoxy)-N-[(2,6-dichlorophenyl)methylideneamino]acetamide
SMILESN#Cc1ccccc1OCC(=O)NN=Cc1c(Cl)cccc1Cl
InChIInChI=1S/C16H11Cl2N3O2/c17-13-5-3-6-14(18)12(13)9-20-21-16(22)10-23-15-7-2-1-4-11(15)8-19/h1-7,9H,10H2,(H,21,22)
InChIKeyCSELQVQNDORWKS-UHFFFAOYSA-N
XLogP3.39
TPSA74.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.19
LogP ≤ 53.39
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

N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(2-cyanophenoxy)acetamide
CID 5392514
2-(2-cyanophenoxy)-N-[(E)-[3-[(E)-[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 42995701
N-(benzylideneamino)-2-(2-cyanophenoxy)acetamide
CID 789568
2-(2-cyanophenoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide
CID 5406717
4-[[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
CID 110209219
2-(2-cyanophenoxy)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
CID 7038076
2-(2-cyanophenoxy)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
CID 7032347
2-(2-cyanophenoxy)-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 42995743
2-(2-cyanophenoxy)-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
CID 9467550
2-(2-cyanophenoxy)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide
CID 9467693
N-[(E)-(2-anilino-4-chloro-1,3-thiazol-5-yl)methylideneamino]-2-(2-cyanophenoxy)acetamide
CID 135763398
N-[(E)-(2,6-dichlorophenyl)methylideneamino]-2-(4-ethoxyphenoxy)acetamide
CID 19189673

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-[(2,6-dichlorophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-[(2,6-dichlorophenyl)methylideneamino]acetamide (CID 780706) is 2-(2-cyanophenoxy)-N-[(2,6-dichlorophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-[(2,6-dichlorophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-[(2,6-dichlorophenyl)methylideneamino]acetamide is N#Cc1ccccc1OCC(=O)NN=Cc1c(Cl)cccc1Cl.
What is the InChIKey of 2-(2-cyanophenoxy)-N-[(2,6-dichlorophenyl)methylideneamino]acetamide?
The InChIKey is CSELQVQNDORWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3O2/c17-13-5-3-6-14(18)12(13)9-20-21-16(22)10-23-15-7-2-1-4-11(15)8-19/h1-7,9H,10H2,(H,21,22).
What are the key properties of 2-(2-cyanophenoxy)-N-[(2,6-dichlorophenyl)methylideneamino]acetamide?
2-(2-cyanophenoxy)-N-[(2,6-dichlorophenyl)methylideneamino]acetamide has a molecular weight of 348.19 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-[(2,6-dichlorophenyl)methylideneamino]acetamide is sourced from PubChem (CID 780706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).