N-[(2-methoxynaphthalen-1-yl)methylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide

C20H15Cl3N2O3 — CID 2265655

IUPACN-[(2-methoxynaphthalen-1-yl)methylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide
SMILESCOc1ccc2ccccc2c1C=NNC(=O)COc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C20H15Cl3N2O3/c1-27-18-7-6-12-4-2-3-5-14(12)15(18)10-24-25-19(26)11-28-20-16(22)8-13(21)9-17(20)23/h2-10H,11H2,1H3,(H,25,26)
InChIKeyKCGOUOKIDYSGOO-UHFFFAOYSA-N
MW437.71 g/mol
LogP5.34
Rot. Bonds6

About N-[(2-methoxynaphthalen-1-yl)methylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide

N-[(2-methoxynaphthalen-1-yl)methylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide (PubChem CID 2265655) has the molecular formula C20H15Cl3N2O3 and a molecular weight of 437.71 g/mol. Its IUPAC name is N-[(2-methoxynaphthalen-1-yl)methylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(2-methoxynaphthalen-1-yl)methylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide
PubChem CID2265655
Molecular FormulaC20H15Cl3N2O3
Molecular Weight437.71 g/mol
Exact Mass436.01
IUPAC NameN-[(2-methoxynaphthalen-1-yl)methylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide
SMILESCOc1ccc2ccccc2c1C=NNC(=O)COc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C20H15Cl3N2O3/c1-27-18-7-6-12-4-2-3-5-14(12)15(18)10-24-25-19(26)11-28-20-16(22)8-13(21)9-17(20)23/h2-10H,11H2,1H3,(H,25,26)
InChIKeyKCGOUOKIDYSGOO-UHFFFAOYSA-N
XLogP5.34
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.71
LogP ≤ 55.34
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

N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-(3-methoxyphenoxy)acetamide
CID 19208685
2-(2,4-dichlorophenoxy)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 135738463
N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 136750606
2-(1,6-dibromonaphthalen-2-yl)oxy-N-[(2-methoxynaphthalen-1-yl)methylideneamino]acetamide
CID 3351605
2-chloro-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]benzamide
CID 5396822
[1-[[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-methylbenzoate
CID 4147096
2-(2,4-dibromo-3-methyl-6-propan-2-ylphenoxy)-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]acetamide
CID 6001406
2-(4-chloro-3-methylphenoxy)-N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]acetamide
CID 19190730
[1-[(Z)-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
CID 6060146
2-(4-chloro-2-methylphenoxy)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 135837461
N-(anthracen-9-ylmethylideneamino)-2-(2,6-dibromo-4-methoxyphenoxy)acetamide
CID 4540848
[1-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 3-methylbenzoate
CID 6283945

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxynaphthalen-1-yl)methylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide?
The IUPAC name of N-[(2-methoxynaphthalen-1-yl)methylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide (CID 2265655) is N-[(2-methoxynaphthalen-1-yl)methylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide.
What is the SMILES notation for N-[(2-methoxynaphthalen-1-yl)methylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide?
The canonical SMILES for N-[(2-methoxynaphthalen-1-yl)methylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide is COc1ccc2ccccc2c1C=NNC(=O)COc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of N-[(2-methoxynaphthalen-1-yl)methylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide?
The InChIKey is KCGOUOKIDYSGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl3N2O3/c1-27-18-7-6-12-4-2-3-5-14(12)15(18)10-24-25-19(26)11-28-20-16(22)8-13(21)9-17(20)23/h2-10H,11H2,1H3,(H,25,26).
What are the key properties of N-[(2-methoxynaphthalen-1-yl)methylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide?
N-[(2-methoxynaphthalen-1-yl)methylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide has a molecular weight of 437.71 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxynaphthalen-1-yl)methylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide is sourced from PubChem (CID 2265655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).