N-[(2-chloro-6-fluorophenyl)methylideneamino]-4-(2,4-dichlorophenoxy)butanamide

C17H14Cl3FN2O2 — CID 3266836

IUPACN-[(2-chloro-6-fluorophenyl)methylideneamino]-4-(2,4-dichlorophenoxy)butanamide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)NN=Cc1c(F)cccc1Cl
InChIInChI=1S/C17H14Cl3FN2O2/c18-11-6-7-16(14(20)9-11)25-8-2-5-17(24)23-22-10-12-13(19)3-1-4-15(12)21/h1,3-4,6-7,9-10H,2,5,8H2,(H,23,24)
InChIKeyGYBZQHLFFQTGLG-UHFFFAOYSA-N
MW403.67 g/mol
LogP5.10
Rot. Bonds7

About N-[(2-chloro-6-fluorophenyl)methylideneamino]-4-(2,4-dichlorophenoxy)butanamide

N-[(2-chloro-6-fluorophenyl)methylideneamino]-4-(2,4-dichlorophenoxy)butanamide (PubChem CID 3266836) has the molecular formula C17H14Cl3FN2O2 and a molecular weight of 403.67 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methylideneamino]-4-(2,4-dichlorophenoxy)butanamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methylideneamino]-4-(2,4-dichlorophenoxy)butanamide
PubChem CID3266836
Molecular FormulaC17H14Cl3FN2O2
Molecular Weight403.67 g/mol
Exact Mass402.01
IUPAC NameN-[(2-chloro-6-fluorophenyl)methylideneamino]-4-(2,4-dichlorophenoxy)butanamide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)NN=Cc1c(F)cccc1Cl
InChIInChI=1S/C17H14Cl3FN2O2/c18-11-6-7-16(14(20)9-11)25-8-2-5-17(24)23-22-10-12-13(19)3-1-4-15(12)21/h1,3-4,6-7,9-10H,2,5,8H2,(H,23,24)
InChIKeyGYBZQHLFFQTGLG-UHFFFAOYSA-N
XLogP5.10
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.67
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(5-chloro-2-hydroxyphenyl)methylideneamino]-4-(2,4-dichlorophenoxy)butanamide
CID 2254015
4-(2,4-dichlorophenoxy)-N-[(2-methylphenyl)methylideneamino]butanamide
CID 4169401
4-(2,4-dichlorophenoxy)-N-(2-phenylpropylideneamino)butanamide
CID 3711585
N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide
CID 2695109
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-(2,4-dichlorophenoxy)butanamide
CID 135555046
4-(2,4-dichlorophenoxy)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]butanamide
CID 6067365
N-(4-chloro-2-fluorophenyl)-4-(2,4-dichlorophenoxy)butanamide
CID 2165687
4-(2,4-dichlorophenoxy)-N-[(3-methoxy-2-prop-2-ynoxyphenyl)methylideneamino]butanamide
CID 4272633
N-[(E)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]-4-(2,4-dichlorophenoxy)butanamide
CID 135609327
4-(2,4-dichlorophenoxy)-N-[(5-ethylthiophen-2-yl)methylideneamino]butanamide
CID 3632931
[4-[(E)-[4-(2,4-dichlorophenoxy)butanoylhydrazinylidene]methyl]phenyl] benzoate
CID 44791031
4-(2,4-dichlorophenoxy)-N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]butyl]butanamide
CID 2841733

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methylideneamino]-4-(2,4-dichlorophenoxy)butanamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methylideneamino]-4-(2,4-dichlorophenoxy)butanamide (CID 3266836) is N-[(2-chloro-6-fluorophenyl)methylideneamino]-4-(2,4-dichlorophenoxy)butanamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methylideneamino]-4-(2,4-dichlorophenoxy)butanamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methylideneamino]-4-(2,4-dichlorophenoxy)butanamide is O=C(CCCOc1ccc(Cl)cc1Cl)NN=Cc1c(F)cccc1Cl.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methylideneamino]-4-(2,4-dichlorophenoxy)butanamide?
The InChIKey is GYBZQHLFFQTGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl3FN2O2/c18-11-6-7-16(14(20)9-11)25-8-2-5-17(24)23-22-10-12-13(19)3-1-4-15(12)21/h1,3-4,6-7,9-10H,2,5,8H2,(H,23,24).
What are the key properties of N-[(2-chloro-6-fluorophenyl)methylideneamino]-4-(2,4-dichlorophenoxy)butanamide?
N-[(2-chloro-6-fluorophenyl)methylideneamino]-4-(2,4-dichlorophenoxy)butanamide has a molecular weight of 403.67 g/mol, XLogP of 5.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methylideneamino]-4-(2,4-dichlorophenoxy)butanamide is sourced from PubChem (CID 3266836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).