N-[(E)-(4-cyanophenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide

C16H11Cl2N3O2 — CID 5348553

IUPACN-[(E)-(4-cyanophenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
SMILESN#Cc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H11Cl2N3O2/c17-13-5-6-15(14(18)7-13)23-10-16(22)21-20-9-12-3-1-11(8-19)2-4-12/h1-7,9H,10H2,(H,21,22)/b20-9+
InChIKeyVNIKKEIQEKEEDP-AWQFTUOYSA-N
MW348.19 g/mol
LogP3.39
Rot. Bonds5

About N-[(E)-(4-cyanophenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide

N-[(E)-(4-cyanophenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide (PubChem CID 5348553) has the molecular formula C16H11Cl2N3O2 and a molecular weight of 348.19 g/mol. Its IUPAC name is N-[(E)-(4-cyanophenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-(4-cyanophenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
PubChem CID5348553
Molecular FormulaC16H11Cl2N3O2
Molecular Weight348.19 g/mol
Exact Mass347.02
IUPAC NameN-[(E)-(4-cyanophenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
SMILESN#Cc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H11Cl2N3O2/c17-13-5-6-15(14(18)7-13)23-10-16(22)21-20-9-12-3-1-11(8-19)2-4-12/h1-7,9H,10H2,(H,21,22)/b20-9+
InChIKeyVNIKKEIQEKEEDP-AWQFTUOYSA-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

2-(2,4-dichlorophenoxy)-N-[(4-fluorophenyl)methylideneamino]acetamide
CID 667961
N-[(E)-benzylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 6870666
2-[4-[[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetamide
CID 1233295
N-[(Z)-(3-chloro-4-methoxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 7332440
N-[(4-chlorophenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 4119361
2-(2,4-dichlorophenoxy)-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide
CID 6870038
propan-2-yl 2-[4-[[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 40988895
2-(2,4-dichlorophenoxy)-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]acetamide
CID 136718750
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 5448376
2-(2,4-dichlorophenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide
CID 831066
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 6143206
2-(2-bromo-4-chlorophenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 135479274

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-cyanophenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide?
The IUPAC name of N-[(E)-(4-cyanophenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide (CID 5348553) is N-[(E)-(4-cyanophenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide.
What is the SMILES notation for N-[(E)-(4-cyanophenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide?
The canonical SMILES for N-[(E)-(4-cyanophenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide is N#Cc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-[(E)-(4-cyanophenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide?
The InChIKey is VNIKKEIQEKEEDP-AWQFTUOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3O2/c17-13-5-6-15(14(18)7-13)23-10-16(22)21-20-9-12-3-1-11(8-19)2-4-12/h1-7,9H,10H2,(H,21,22)/b20-9+.
What are the key properties of N-[(E)-(4-cyanophenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide?
N-[(E)-(4-cyanophenyl)methylideneamino]-2-(2,4-dichlorophenoxy)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 N-[(E)-(4-cyanophenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide is sourced from PubChem (CID 5348553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).