2-(4-cyanophenoxy)-N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]acetamide

C17H13Cl2N3O2 — CID 9316609

IUPAC2-(4-cyanophenoxy)-N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)COc1ccc(C#N)cc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H13Cl2N3O2/c1-11(15-8-13(18)4-7-16(15)19)21-22-17(23)10-24-14-5-2-12(9-20)3-6-14/h2-8H,10H2,1H3,(H,22,23)/b21-11-
InChIKeyYHLZHLIHPTYMPF-NHDPSOOVSA-N
MW362.22 g/mol
LogP3.78
Rot. Bonds5

About 2-(4-cyanophenoxy)-N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]acetamide

2-(4-cyanophenoxy)-N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]acetamide (PubChem CID 9316609) has the molecular formula C17H13Cl2N3O2 and a molecular weight of 362.22 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]acetamide
PubChem CID9316609
Molecular FormulaC17H13Cl2N3O2
Molecular Weight362.22 g/mol
Exact Mass361.04
IUPAC Name2-(4-cyanophenoxy)-N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)COc1ccc(C#N)cc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H13Cl2N3O2/c1-11(15-8-13(18)4-7-16(15)19)21-22-17(23)10-24-14-5-2-12(9-20)3-6-14/h2-8H,10H2,1H3,(H,22,23)/b21-11-
InChIKeyYHLZHLIHPTYMPF-NHDPSOOVSA-N
XLogP3.78
TPSA74.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 53.78
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-(4-chlorophenoxy)-N-[(Z)-1-(2,3,4-trichlorophenyl)ethylideneamino]acetamide
CID 7934897
2-(4-cyanophenoxy)-N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]acetamide
CID 9316623
2-(4-cyanophenoxy)-N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]acetamide
CID 9316574
N-(butan-2-ylideneamino)-2-(4-cyanophenoxy)acetamide
CID 3686210
2-(4-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)ethylideneamino]acetamide
CID 4146329
N-[1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 4258714
2-(4-cyanophenoxy)-N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]acetamide
CID 9256860
2-(4-cyanophenoxy)-N-[(Z)-1-(4-ethylphenyl)ethylideneamino]acetamide
CID 9316462
2-(4-cyanophenoxy)-N-(pentan-3-ylideneamino)acetamide
CID 4082940
2-(4-cyanophenoxy)-N-[(Z)-1-(furan-2-yl)ethylideneamino]acetamide
CID 6378395
2-(4-cyanophenoxy)-N-[(Z)-1-(4-propylphenyl)ethylideneamino]acetamide
CID 9316565
N'-[2-(4-cyanophenoxy)acetyl]-2-(2,4-dichlorophenyl)acetohydrazide
CID 7978491

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]acetamide (CID 9316609) is 2-(4-cyanophenoxy)-N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]acetamide is C/C(=N/NC(=O)COc1ccc(C#N)cc1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(4-cyanophenoxy)-N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]acetamide?
The InChIKey is YHLZHLIHPTYMPF-NHDPSOOVSA-N. The full InChI is InChI=1S/C17H13Cl2N3O2/c1-11(15-8-13(18)4-7-16(15)19)21-22-17(23)10-24-14-5-2-12(9-20)3-6-14/h2-8H,10H2,1H3,(H,22,23)/b21-11-.
What are the key properties of 2-(4-cyanophenoxy)-N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]acetamide?
2-(4-cyanophenoxy)-N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]acetamide has a molecular weight of 362.22 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]acetamide is sourced from PubChem (CID 9316609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).