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

C20H13Cl2FN2O2 — CID 2796519

IUPAC2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)benzamide
SMILESO=C(Nc1ccc(F)cc1)c1ccccc1/N=C/c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C20H13Cl2FN2O2/c21-13-9-12(19(26)17(22)10-13)11-24-18-4-2-1-3-16(18)20(27)25-15-7-5-14(23)6-8-15/h1-11,26H,(H,25,27)/b24-11+
InChIKeyCWKIDHLDIPMLMY-BHGWPJFGSA-N
MW403.24 g/mol
LogP5.84
Rot. Bonds4

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

2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)benzamide (PubChem CID 2796519) has the molecular formula C20H13Cl2FN2O2 and a molecular weight of 403.24 g/mol. Its IUPAC name is 2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)benzamide.

Molecular Properties

Compound Name2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)benzamide
PubChem CID2796519
Molecular FormulaC20H13Cl2FN2O2
Molecular Weight403.24 g/mol
Exact Mass402.03
IUPAC Name2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)benzamide
SMILESO=C(Nc1ccc(F)cc1)c1ccccc1/N=C/c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C20H13Cl2FN2O2/c21-13-9-12(19(26)17(22)10-13)11-24-18-4-2-1-3-16(18)20(27)25-15-7-5-14(23)6-8-15/h1-11,26H,(H,25,27)/b24-11+
InChIKeyCWKIDHLDIPMLMY-BHGWPJFGSA-N
XLogP5.84
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.24
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)benzamide?
The IUPAC name of 2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)benzamide (CID 2796519) is 2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)benzamide.
What is the SMILES notation for 2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)benzamide?
The canonical SMILES for 2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)benzamide is O=C(Nc1ccc(F)cc1)c1ccccc1/N=C/c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)benzamide?
The InChIKey is CWKIDHLDIPMLMY-BHGWPJFGSA-N. The full InChI is InChI=1S/C20H13Cl2FN2O2/c21-13-9-12(19(26)17(22)10-13)11-24-18-4-2-1-3-16(18)20(27)25-15-7-5-14(23)6-8-15/h1-11,26H,(H,25,27)/b24-11+.
What are the key properties of 2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)benzamide?
2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)benzamide has a molecular weight of 403.24 g/mol, XLogP of 5.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)benzamide is sourced from PubChem (CID 2796519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).