N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide

C16H12Cl4N2O2 — CID 19685551

IUPACN-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
SMILESC/C(=N\NC(=O)COc1cc(Cl)c(Cl)cc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C16H12Cl4N2O2/c1-9(10-2-4-11(17)5-3-10)21-22-16(23)8-24-15-7-13(19)12(18)6-14(15)20/h2-7H,8H2,1H3,(H,22,23)/b21-9+
InChIKeyKBWDGYBWYLBAHD-ZVBGSRNCSA-N
MW406.10 g/mol
LogP5.22
Rot. Bonds5

About N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide

N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide (PubChem CID 19685551) has the molecular formula C16H12Cl4N2O2 and a molecular weight of 406.10 g/mol. Its IUPAC name is N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
PubChem CID19685551
Molecular FormulaC16H12Cl4N2O2
Molecular Weight406.10 g/mol
Exact Mass403.97
IUPAC NameN-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
SMILESC/C(=N\NC(=O)COc1cc(Cl)c(Cl)cc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C16H12Cl4N2O2/c1-9(10-2-4-11(17)5-3-10)21-22-16(23)8-24-15-7-13(19)12(18)6-14(15)20/h2-7H,8H2,1H3,(H,22,23)/b21-9+
InChIKeyKBWDGYBWYLBAHD-ZVBGSRNCSA-N
XLogP5.22
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.10
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[4-[C-methyl-N-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]carbonimidoyl]phenyl]benzamide
CID 3417059
N-[1-(4-chlorophenyl)ethylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 1354153
N-[(E)-1-(4-chlorophenyl)propylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 6018865
N-(1-naphthalen-2-ylethylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide
CID 4583055
N-[1-(4-aminophenyl)ethylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 3486285
N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 7957341
N-(propan-2-ylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide
CID 4604451
2-(2,4-dichlorophenoxy)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 6015085
2-(2,4-dichlorophenoxy)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 4121523
N-[1-(3-bromophenyl)ethylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 3694594
N-[1-(4-chlorophenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 3406819
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 6054821

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide?
The IUPAC name of N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide (CID 19685551) is N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide.
What is the SMILES notation for N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide?
The canonical SMILES for N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide is C/C(=N\NC(=O)COc1cc(Cl)c(Cl)cc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide?
The InChIKey is KBWDGYBWYLBAHD-ZVBGSRNCSA-N. The full InChI is InChI=1S/C16H12Cl4N2O2/c1-9(10-2-4-11(17)5-3-10)21-22-16(23)8-24-15-7-13(19)12(18)6-14(15)20/h2-7H,8H2,1H3,(H,22,23)/b21-9+.
What are the key properties of N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide?
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide has a molecular weight of 406.10 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide is sourced from PubChem (CID 19685551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).