N-(1-naphthalen-2-ylethylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide

C20H15Cl3N2O2 — CID 4583055

IUPACN-(1-naphthalen-2-ylethylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide
SMILESCC(=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl)c1ccc2ccccc2c1
InChIInChI=1S/C20H15Cl3N2O2/c1-12(14-7-6-13-4-2-3-5-15(13)8-14)24-25-20(26)11-27-19-10-17(22)16(21)9-18(19)23/h2-10H,11H2,1H3,(H,25,26)
InChIKeyTYCVXQKKQHEYMG-UHFFFAOYSA-N
MW421.71 g/mol
LogP5.72
Rot. Bonds5

About N-(1-naphthalen-2-ylethylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide

N-(1-naphthalen-2-ylethylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide (PubChem CID 4583055) has the molecular formula C20H15Cl3N2O2 and a molecular weight of 421.71 g/mol. Its IUPAC name is N-(1-naphthalen-2-ylethylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(1-naphthalen-2-ylethylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide
PubChem CID4583055
Molecular FormulaC20H15Cl3N2O2
Molecular Weight421.71 g/mol
Exact Mass420.02
IUPAC NameN-(1-naphthalen-2-ylethylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide
SMILESCC(=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl)c1ccc2ccccc2c1
InChIInChI=1S/C20H15Cl3N2O2/c1-12(14-7-6-13-4-2-3-5-15(13)8-14)24-25-20(26)11-27-19-10-17(22)16(21)9-18(19)23/h2-10H,11H2,1H3,(H,25,26)
InChIKeyTYCVXQKKQHEYMG-UHFFFAOYSA-N
XLogP5.72
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.71
LogP ≤ 55.72
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-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 19685551
N-(1-naphthalen-2-ylethylideneamino)-2-phenoxyacetamide
CID 913446
N-[1-(3-bromophenyl)ethylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 3694594
N-[1-(2-hydroxyphenyl)ethylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 4155811
2-(4-iodophenoxy)-N-[(Z)-1-naphthalen-2-ylethylideneamino]acetamide
CID 41290636
4-(2,4-dichlorophenoxy)-N-(1-naphthalen-2-ylethylideneamino)butanamide
CID 4284364
N-(propan-2-ylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide
CID 4604451
4-chloro-N-[4-[C-methyl-N-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]carbonimidoyl]phenyl]benzamide
CID 3417059
N-[1-(4-methoxyphenyl)ethylideneamino]-2-naphthalen-2-yloxyacetamide
CID 4109084
N-[1-(3,4-dimethylphenyl)ethylideneamino]-2-naphthalen-2-yloxyacetamide
CID 4609255
N-[(E)-1-phenylpropan-2-ylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 19685205
N-[(E)-1-(4-chlorophenyl)propylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 6018865

Frequently Asked Questions

What is the IUPAC name of N-(1-naphthalen-2-ylethylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide?
The IUPAC name of N-(1-naphthalen-2-ylethylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide (CID 4583055) is N-(1-naphthalen-2-ylethylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide.
What is the SMILES notation for N-(1-naphthalen-2-ylethylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide?
The canonical SMILES for N-(1-naphthalen-2-ylethylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide is CC(=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl)c1ccc2ccccc2c1.
What is the InChIKey of N-(1-naphthalen-2-ylethylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide?
The InChIKey is TYCVXQKKQHEYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl3N2O2/c1-12(14-7-6-13-4-2-3-5-15(13)8-14)24-25-20(26)11-27-19-10-17(22)16(21)9-18(19)23/h2-10H,11H2,1H3,(H,25,26).
What are the key properties of N-(1-naphthalen-2-ylethylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide?
N-(1-naphthalen-2-ylethylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide has a molecular weight of 421.71 g/mol, XLogP of 5.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-naphthalen-2-ylethylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide is sourced from PubChem (CID 4583055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).