N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(4-fluorophenyl)acetamide

C15H11Cl2FN2O2 — CID 135582622

IUPACN-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)N/N=C/c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C15H11Cl2FN2O2/c16-11-6-10(15(22)13(17)7-11)8-19-20-14(21)5-9-1-3-12(18)4-2-9/h1-4,6-8,22H,5H2,(H,20,21)/b19-8+
InChIKeyYREFNZPSLVYSGI-UFWORHAWSA-N
MW341.17 g/mol
LogP3.53
Rot. Bonds4

About N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(4-fluorophenyl)acetamide

N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(4-fluorophenyl)acetamide (PubChem CID 135582622) has the molecular formula C15H11Cl2FN2O2 and a molecular weight of 341.17 g/mol. Its IUPAC name is N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(4-fluorophenyl)acetamide
PubChem CID135582622
Molecular FormulaC15H11Cl2FN2O2
Molecular Weight341.17 g/mol
Exact Mass340.02
IUPAC NameN-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)N/N=C/c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C15H11Cl2FN2O2/c16-11-6-10(15(22)13(17)7-11)8-19-20-14(21)5-9-1-3-12(18)4-2-9/h1-4,6-8,22H,5H2,(H,20,21)/b19-8+
InChIKeyYREFNZPSLVYSGI-UFWORHAWSA-N
XLogP3.53
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.17
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

(4-Chloro-phenyl)-acetic acid (2-hydroxy-3-methyl-benzylidene)-hydrazide
CID 135531710
N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-(trifluoromethyl)benzamide
CID 136200694
N'-(5-bromo-3-chloro-2-hydroxybenzylidene)-2-phenylacetohydrazide
CID 135458746
4-[3-[(3,5-Dichloro-2-hydroxyphenyl)methylideneamino]propyl]-1,4-dihydropyrazol-5-one
CID 2803665
N'-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylidene]benzohydrazide
CID 135418221
N'-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylidene]-2-hydroxybenzohydrazide
CID 135455583
N'-[1-(3,5-dichloro-2-hydroxyphenyl)propylidene]-4-fluorobenzohydrazide
CID 135691033
4-tert-butyl-N'-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylidene]benzohydrazide
CID 135445519
N'-[(E)-(5-chloro-2-hydroxyphenyl)methylidene]benzohydrazide
CID 135558963
N-[(E)-(3-chloro-2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 137361983
N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2,3-difluorobenzamide
CID 154588493
N'-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylidene]-2-hydroxybenzohydrazide (24)
CID 135713856

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(4-fluorophenyl)acetamide (CID 135582622) is N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(4-fluorophenyl)acetamide is O=C(Cc1ccc(F)cc1)N/N=C/c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(4-fluorophenyl)acetamide?
The InChIKey is YREFNZPSLVYSGI-UFWORHAWSA-N. The full InChI is InChI=1S/C15H11Cl2FN2O2/c16-11-6-10(15(22)13(17)7-11)8-19-20-14(21)5-9-1-3-12(18)4-2-9/h1-4,6-8,22H,5H2,(H,20,21)/b19-8+.
What are the key properties of N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(4-fluorophenyl)acetamide?
N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(4-fluorophenyl)acetamide has a molecular weight of 341.17 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 135582622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).