4-(2,4-dichlorophenoxy)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]butanamide

C19H21Cl2N3O2 — CID 6067365

IUPAC4-(2,4-dichlorophenoxy)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]butanamide
SMILESCN(C)c1ccc(/C=N\NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H21Cl2N3O2/c1-24(2)16-8-5-14(6-9-16)13-22-23-19(25)4-3-11-26-18-10-7-15(20)12-17(18)21/h5-10,12-13H,3-4,11H2,1-2H3,(H,23,25)/b22-13-
InChIKeyOUIVOQWBUPVJKN-XKZIYDEJSA-N
MW394.30 g/mol
LogP4.37
Rot. Bonds8

About 4-(2,4-dichlorophenoxy)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]butanamide

4-(2,4-dichlorophenoxy)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]butanamide (PubChem CID 6067365) has the molecular formula C19H21Cl2N3O2 and a molecular weight of 394.30 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]butanamide.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]butanamide
PubChem CID6067365
Molecular FormulaC19H21Cl2N3O2
Molecular Weight394.30 g/mol
Exact Mass393.10
IUPAC Name4-(2,4-dichlorophenoxy)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]butanamide
SMILESCN(C)c1ccc(/C=N\NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H21Cl2N3O2/c1-24(2)16-8-5-14(6-9-16)13-22-23-19(25)4-3-11-26-18-10-7-15(20)12-17(18)21/h5-10,12-13H,3-4,11H2,1-2H3,(H,23,25)/b22-13-
InChIKeyOUIVOQWBUPVJKN-XKZIYDEJSA-N
XLogP4.37
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.30
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-(2,4-dichlorophenyl)-N'-[[4-(dimethylamino)phenyl]methylideneamino]butanediamide
CID 5229962
2-(2,5-dichlorophenoxy)-N-[[4-(dimethylamino)phenyl]methylideneamino]acetamide
CID 1283615
N-[(E)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]-4-(2,4-dichlorophenoxy)butanamide
CID 135609327
[4-[(E)-[4-(2,4-dichlorophenoxy)butanoylhydrazinylidene]methyl]phenyl] benzoate
CID 44791031
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]hexanediamide
CID 92856210
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-4-(2,4-dichlorophenoxy)butanamide
CID 2254015
4-(4-chloro-2-methylphenoxy)-N-[(4-fluorophenyl)methylideneamino]butanamide
CID 4658763
4-(2,4-dichlorophenoxy)-N-[(2-methylphenyl)methylideneamino]butanamide
CID 4169401
[4-[[4-(2,4-dichlorophenoxy)butanoylhydrazinylidene]methyl]-2-methoxyphenyl] 2-chlorobenzoate
CID 4636100
N-[(2-chloro-6-fluorophenyl)methylideneamino]-4-(2,4-dichlorophenoxy)butanamide
CID 3266836
4-(2,4-dichlorophenoxy)-N-[(5-ethylthiophen-2-yl)methylideneamino]butanamide
CID 3632931
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-(2,4-dichlorophenoxy)butanamide
CID 135555046

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenoxy)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]butanamide?
The IUPAC name of 4-(2,4-dichlorophenoxy)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]butanamide (CID 6067365) is 4-(2,4-dichlorophenoxy)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]butanamide.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]butanamide?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]butanamide is CN(C)c1ccc(/C=N\NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 4-(2,4-dichlorophenoxy)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]butanamide?
The InChIKey is OUIVOQWBUPVJKN-XKZIYDEJSA-N. The full InChI is InChI=1S/C19H21Cl2N3O2/c1-24(2)16-8-5-14(6-9-16)13-22-23-19(25)4-3-11-26-18-10-7-15(20)12-17(18)21/h5-10,12-13H,3-4,11H2,1-2H3,(H,23,25)/b22-13-.
What are the key properties of 4-(2,4-dichlorophenoxy)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]butanamide?
4-(2,4-dichlorophenoxy)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]butanamide has a molecular weight of 394.30 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenoxy)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]butanamide is sourced from PubChem (CID 6067365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).