N-[(E)-anthracen-9-ylmethylideneamino]-2-(2,3-dichlorophenoxy)acetamide

C23H16Cl2N2O2 — CID 45055199

IUPACN-[(E)-anthracen-9-ylmethylideneamino]-2-(2,3-dichlorophenoxy)acetamide
SMILESO=C(COc1cccc(Cl)c1Cl)N/N=C/c1c2ccccc2cc2ccccc12
InChIInChI=1S/C23H16Cl2N2O2/c24-20-10-5-11-21(23(20)25)29-14-22(28)27-26-13-19-17-8-3-1-6-15(17)12-16-7-2-4-9-18(16)19/h1-13H,14H2,(H,27,28)/b26-13+
InChIKeyNVHBEHHYFRQDOI-LGJNPRDNSA-N
MW423.30 g/mol
LogP5.83
Rot. Bonds5

About N-[(E)-anthracen-9-ylmethylideneamino]-2-(2,3-dichlorophenoxy)acetamide

N-[(E)-anthracen-9-ylmethylideneamino]-2-(2,3-dichlorophenoxy)acetamide (PubChem CID 45055199) has the molecular formula C23H16Cl2N2O2 and a molecular weight of 423.30 g/mol. Its IUPAC name is N-[(E)-anthracen-9-ylmethylideneamino]-2-(2,3-dichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-anthracen-9-ylmethylideneamino]-2-(2,3-dichlorophenoxy)acetamide
PubChem CID45055199
Molecular FormulaC23H16Cl2N2O2
Molecular Weight423.30 g/mol
Exact Mass422.06
IUPAC NameN-[(E)-anthracen-9-ylmethylideneamino]-2-(2,3-dichlorophenoxy)acetamide
SMILESO=C(COc1cccc(Cl)c1Cl)N/N=C/c1c2ccccc2cc2ccccc12
InChIInChI=1S/C23H16Cl2N2O2/c24-20-10-5-11-21(23(20)25)29-14-22(28)27-26-13-19-17-8-3-1-6-15(17)12-16-7-2-4-9-18(16)19/h1-13H,14H2,(H,27,28)/b26-13+
InChIKeyNVHBEHHYFRQDOI-LGJNPRDNSA-N
XLogP5.83
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.30
LogP ≤ 55.83
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze N-[(E)-anthracen-9-ylmethylideneamino]-2-(2,3-dichlorophenoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,3-dichlorophenoxy)-N-(naphthalen-1-ylmethylideneamino)acetamide
CID 4059063
[1-[(Z)-[[2-(2,3-dichlorophenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 3-methylbenzoate
CID 6034977
N-[(E)-anthracen-9-ylmethylideneamino]-2-(3-chlorophenoxy)acetamide
CID 7334026
[1-[[[2-(2,3-dichlorophenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-methoxybenzoate
CID 4082807
2-(2,3-dichlorophenoxy)-N-[(E)-(2,3-dichlorophenyl)methylideneamino]acetamide
CID 45055184
2-(2,3-dichlorophenoxy)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 136808275
[1-[(Z)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
CID 6161143
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(2,3-dichlorophenoxy)acetamide
CID 6174342
N-[(10-chloroanthracen-9-yl)methylideneamino]-2-(2-fluorophenoxy)acetamide
CID 4263096
N-(anthracen-9-ylmethylideneamino)-2-(2,6-dibromo-4-methoxyphenoxy)acetamide
CID 4540848
2-(2,4-dichlorophenoxy)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 135738463
N-(anthracen-9-ylmethylideneamino)-2-(4-ethylphenoxy)acetamide
CID 3363450

Frequently Asked Questions

What is the IUPAC name of N-[(E)-anthracen-9-ylmethylideneamino]-2-(2,3-dichlorophenoxy)acetamide?
The IUPAC name of N-[(E)-anthracen-9-ylmethylideneamino]-2-(2,3-dichlorophenoxy)acetamide (CID 45055199) is N-[(E)-anthracen-9-ylmethylideneamino]-2-(2,3-dichlorophenoxy)acetamide.
What is the SMILES notation for N-[(E)-anthracen-9-ylmethylideneamino]-2-(2,3-dichlorophenoxy)acetamide?
The canonical SMILES for N-[(E)-anthracen-9-ylmethylideneamino]-2-(2,3-dichlorophenoxy)acetamide is O=C(COc1cccc(Cl)c1Cl)N/N=C/c1c2ccccc2cc2ccccc12.
What is the InChIKey of N-[(E)-anthracen-9-ylmethylideneamino]-2-(2,3-dichlorophenoxy)acetamide?
The InChIKey is NVHBEHHYFRQDOI-LGJNPRDNSA-N. The full InChI is InChI=1S/C23H16Cl2N2O2/c24-20-10-5-11-21(23(20)25)29-14-22(28)27-26-13-19-17-8-3-1-6-15(17)12-16-7-2-4-9-18(16)19/h1-13H,14H2,(H,27,28)/b26-13+.
What are the key properties of N-[(E)-anthracen-9-ylmethylideneamino]-2-(2,3-dichlorophenoxy)acetamide?
N-[(E)-anthracen-9-ylmethylideneamino]-2-(2,3-dichlorophenoxy)acetamide has a molecular weight of 423.30 g/mol, XLogP of 5.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-anthracen-9-ylmethylideneamino]-2-(2,3-dichlorophenoxy)acetamide is sourced from PubChem (CID 45055199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).