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

C15H12Cl2N2O2 — CID 6870666

IUPACN-[(E)-benzylideneamino]-2-(2,4-dichlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccccc1
InChIInChI=1S/C15H12Cl2N2O2/c16-12-6-7-14(13(17)8-12)21-10-15(20)19-18-9-11-4-2-1-3-5-11/h1-9H,10H2,(H,19,20)/b18-9+
InChIKeyFYZNTFXOYWJWHN-GIJQJNRQSA-N
MW323.18 g/mol
LogP3.52
Rot. Bonds5

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

N-[(E)-benzylideneamino]-2-(2,4-dichlorophenoxy)acetamide (PubChem CID 6870666) has the molecular formula C15H12Cl2N2O2 and a molecular weight of 323.18 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]-2-(2,4-dichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]-2-(2,4-dichlorophenoxy)acetamide
PubChem CID6870666
Molecular FormulaC15H12Cl2N2O2
Molecular Weight323.18 g/mol
Exact Mass322.03
IUPAC NameN-[(E)-benzylideneamino]-2-(2,4-dichlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccccc1
InChIInChI=1S/C15H12Cl2N2O2/c16-12-6-7-14(13(17)8-12)21-10-15(20)19-18-9-11-4-2-1-3-5-11/h1-9H,10H2,(H,19,20)/b18-9+
InChIKeyFYZNTFXOYWJWHN-GIJQJNRQSA-N
XLogP3.52
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.18
LogP ≤ 53.52
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-(2,4-dichlorophenoxy)-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide
CID 6870038
2-(2,4-dichlorophenoxy)-N-[(4-fluorophenyl)methylideneamino]acetamide
CID 667961
2-(2,4-dichlorophenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide
CID 831066
N-[(E)-(4-cyanophenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 5348553
2-(2,4-dichlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 4924400
N-[(Z)-(3-chloro-4-methoxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 7332440
2-[4-[[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetamide
CID 1233295
2-(2,4-dichlorophenoxy)-N-(pyridin-2-ylmethylideneamino)acetamide
CID 639603
N-[(4-chlorophenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 4119361
[3-[(E)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 45054818
[4-[[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-iodobenzoate
CID 3649367
2-(2,4-dichlorophenoxy)-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]acetamide
CID 136718750

Frequently Asked Questions

What is the IUPAC name of N-[(E)-benzylideneamino]-2-(2,4-dichlorophenoxy)acetamide?
The IUPAC name of N-[(E)-benzylideneamino]-2-(2,4-dichlorophenoxy)acetamide (CID 6870666) is N-[(E)-benzylideneamino]-2-(2,4-dichlorophenoxy)acetamide.
What is the SMILES notation for N-[(E)-benzylideneamino]-2-(2,4-dichlorophenoxy)acetamide?
The canonical SMILES for N-[(E)-benzylideneamino]-2-(2,4-dichlorophenoxy)acetamide is O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccccc1.
What is the InChIKey of N-[(E)-benzylideneamino]-2-(2,4-dichlorophenoxy)acetamide?
The InChIKey is FYZNTFXOYWJWHN-GIJQJNRQSA-N. The full InChI is InChI=1S/C15H12Cl2N2O2/c16-12-6-7-14(13(17)8-12)21-10-15(20)19-18-9-11-4-2-1-3-5-11/h1-9H,10H2,(H,19,20)/b18-9+.
What are the key properties of N-[(E)-benzylideneamino]-2-(2,4-dichlorophenoxy)acetamide?
N-[(E)-benzylideneamino]-2-(2,4-dichlorophenoxy)acetamide has a molecular weight of 323.18 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-benzylideneamino]-2-(2,4-dichlorophenoxy)acetamide is sourced from PubChem (CID 6870666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).