N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-4-fluorobenzamide

C15H11Cl2FN2O2 — CID 135676383

IUPACN-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-4-fluorobenzamide
SMILESC/C(=N\NC(=O)c1ccc(F)cc1)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C15H11Cl2FN2O2/c1-8(12-6-10(16)7-13(17)14(12)21)19-20-15(22)9-2-4-11(18)5-3-9/h2-7,21H,1H3,(H,20,22)/b19-8+
InChIKeyIREZZMCFXDBPFO-UFWORHAWSA-N
MW341.17 g/mol
LogP3.99
Rot. Bonds3

About N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-4-fluorobenzamide

N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-4-fluorobenzamide (PubChem CID 135676383) has the molecular formula C15H11Cl2FN2O2 and a molecular weight of 341.17 g/mol. Its IUPAC name is N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-4-fluorobenzamide
PubChem CID135676383
Molecular FormulaC15H11Cl2FN2O2
Molecular Weight341.17 g/mol
Exact Mass340.02
IUPAC NameN-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-4-fluorobenzamide
SMILESC/C(=N\NC(=O)c1ccc(F)cc1)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C15H11Cl2FN2O2/c1-8(12-6-10(16)7-13(17)14(12)21)19-20-15(22)9-2-4-11(18)5-3-9/h2-7,21H,1H3,(H,20,22)/b19-8+
InChIKeyIREZZMCFXDBPFO-UFWORHAWSA-N
XLogP3.99
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.17
LogP ≤ 53.99
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-N-[1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]benzamide
CID 3299264
N-[1-(3,5-dichloro-2-hydroxyphenyl)propylideneamino]-4-fluorobenzamide
CID 3388426
N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)propylideneamino]-4-fluorobenzamide
CID 135691033
N-[1-(2-chlorophenyl)ethylideneamino]-4-fluorobenzamide
CID 4123308
N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-4-[(4-ethoxyphenoxy)methyl]benzamide
CID 135842175
N-[1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-hydroxy-3-methylbenzamide
CID 137138457
5-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-hydroxybenzamide
CID 3386192
N-[1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-methylfuran-3-carboxamide
CID 137031048
N-[1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 137104459
4-fluoro-N-(propan-2-ylideneamino)benzamide
CID 847533
4-amino-N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]benzamide
CID 7955460
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3,4,5-trihydroxybenzamide
CID 6089848

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-4-fluorobenzamide?
The IUPAC name of N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-4-fluorobenzamide (CID 135676383) is N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-4-fluorobenzamide.
What is the SMILES notation for N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-4-fluorobenzamide?
The canonical SMILES for N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-4-fluorobenzamide is C/C(=N\NC(=O)c1ccc(F)cc1)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-4-fluorobenzamide?
The InChIKey is IREZZMCFXDBPFO-UFWORHAWSA-N. The full InChI is InChI=1S/C15H11Cl2FN2O2/c1-8(12-6-10(16)7-13(17)14(12)21)19-20-15(22)9-2-4-11(18)5-3-9/h2-7,21H,1H3,(H,20,22)/b19-8+.
What are the key properties of N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-4-fluorobenzamide?
N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-4-fluorobenzamide has a molecular weight of 341.17 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-4-fluorobenzamide is sourced from PubChem (CID 135676383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).