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

C17H14Cl4N2O2 — CID 6018865

IUPACN-[(E)-1-(4-chlorophenyl)propylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
SMILESCC/C(=N\NC(=O)COc1cc(Cl)c(Cl)cc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C17H14Cl4N2O2/c1-2-15(10-3-5-11(18)6-4-10)22-23-17(24)9-25-16-8-13(20)12(19)7-14(16)21/h3-8H,2,9H2,1H3,(H,23,24)/b22-15+
InChIKeyPZVZBKCLDGQJFM-PXLXIMEGSA-N
MW420.12 g/mol
LogP5.61
Rot. Bonds6

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

N-[(E)-1-(4-chlorophenyl)propylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide (PubChem CID 6018865) has the molecular formula C17H14Cl4N2O2 and a molecular weight of 420.12 g/mol. Its IUPAC name is N-[(E)-1-(4-chlorophenyl)propylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-1-(4-chlorophenyl)propylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
PubChem CID6018865
Molecular FormulaC17H14Cl4N2O2
Molecular Weight420.12 g/mol
Exact Mass417.98
IUPAC NameN-[(E)-1-(4-chlorophenyl)propylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
SMILESCC/C(=N\NC(=O)COc1cc(Cl)c(Cl)cc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C17H14Cl4N2O2/c1-2-15(10-3-5-11(18)6-4-10)22-23-17(24)9-25-16-8-13(20)12(19)7-14(16)21/h3-8H,2,9H2,1H3,(H,23,24)/b22-15+
InChIKeyPZVZBKCLDGQJFM-PXLXIMEGSA-N
XLogP5.61
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.12
LogP ≤ 55.61
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

N-[(Z)-1-(4-chlorophenyl)propylideneamino]-2-(2,5-dimethylphenoxy)acetamide
CID 7813174
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 19685551
2-(2,4-dichlorophenoxy)-N-[1-(4-methoxyphenyl)propylideneamino]acetamide
CID 4582547
2-(4-chlorophenoxy)-N-[1-(4-hydroxyphenyl)propylideneamino]acetamide
CID 3659742
2-(4-chlorophenoxy)-N-[1-(4-methylphenyl)propylideneamino]acetamide
CID 5237817
N-[(E)-(3-methyl-1-phenylbutylidene)amino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 6048682
N-(heptan-4-ylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide
CID 4050988
N-[1-(3,4-dichlorophenyl)propylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 4845784
4-chloro-N-[4-[C-methyl-N-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]carbonimidoyl]phenyl]benzamide
CID 3417059
N-(propan-2-ylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide
CID 4604451
N-(1-naphthalen-2-ylethylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide
CID 4583055
N-[1-(3-bromophenyl)ethylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 3694594

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-chlorophenyl)propylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide?
The IUPAC name of N-[(E)-1-(4-chlorophenyl)propylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide (CID 6018865) is N-[(E)-1-(4-chlorophenyl)propylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide.
What is the SMILES notation for N-[(E)-1-(4-chlorophenyl)propylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide?
The canonical SMILES for N-[(E)-1-(4-chlorophenyl)propylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide is CC/C(=N\NC(=O)COc1cc(Cl)c(Cl)cc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of N-[(E)-1-(4-chlorophenyl)propylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide?
The InChIKey is PZVZBKCLDGQJFM-PXLXIMEGSA-N. The full InChI is InChI=1S/C17H14Cl4N2O2/c1-2-15(10-3-5-11(18)6-4-10)22-23-17(24)9-25-16-8-13(20)12(19)7-14(16)21/h3-8H,2,9H2,1H3,(H,23,24)/b22-15+.
What are the key properties of N-[(E)-1-(4-chlorophenyl)propylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide?
N-[(E)-1-(4-chlorophenyl)propylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide has a molecular weight of 420.12 g/mol, XLogP of 5.61, 6 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)propylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide is sourced from PubChem (CID 6018865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).