2,4-dichloro-N-[(Z)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]benzamide

C18H16Cl2FN3O2 — CID 126136661

IUPAC2,4-dichloro-N-[(Z)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccc(N2CCOCC2)c(F)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H16Cl2FN3O2/c19-13-2-3-14(15(20)10-13)18(25)23-22-11-12-1-4-17(16(21)9-12)24-5-7-26-8-6-24/h1-4,9-11H,5-8H2,(H,23,25)/b22-11-
InChIKeyHJXJGFNESUPGFY-JJFYIABZSA-N
MW396.25 g/mol
LogP3.73
Rot. Bonds4

About 2,4-dichloro-N-[(Z)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]benzamide

2,4-dichloro-N-[(Z)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]benzamide (PubChem CID 126136661) has the molecular formula C18H16Cl2FN3O2 and a molecular weight of 396.25 g/mol. Its IUPAC name is 2,4-dichloro-N-[(Z)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(Z)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]benzamide
PubChem CID126136661
Molecular FormulaC18H16Cl2FN3O2
Molecular Weight396.25 g/mol
Exact Mass395.06
IUPAC Name2,4-dichloro-N-[(Z)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccc(N2CCOCC2)c(F)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H16Cl2FN3O2/c19-13-2-3-14(15(20)10-13)18(25)23-22-11-12-1-4-17(16(21)9-12)24-5-7-26-8-6-24/h1-4,9-11H,5-8H2,(H,23,25)/b22-11-
InChIKeyHJXJGFNESUPGFY-JJFYIABZSA-N
XLogP3.73
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.25
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(Z)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]benzamide?
The IUPAC name of 2,4-dichloro-N-[(Z)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]benzamide (CID 126136661) is 2,4-dichloro-N-[(Z)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[(Z)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]benzamide?
The canonical SMILES for 2,4-dichloro-N-[(Z)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]benzamide is O=C(N/N=C\c1ccc(N2CCOCC2)c(F)c1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[(Z)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]benzamide?
The InChIKey is HJXJGFNESUPGFY-JJFYIABZSA-N. The full InChI is InChI=1S/C18H16Cl2FN3O2/c19-13-2-3-14(15(20)10-13)18(25)23-22-11-12-1-4-17(16(21)9-12)24-5-7-26-8-6-24/h1-4,9-11H,5-8H2,(H,23,25)/b22-11-.
What are the key properties of 2,4-dichloro-N-[(Z)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]benzamide?
2,4-dichloro-N-[(Z)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]benzamide has a molecular weight of 396.25 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(Z)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]benzamide is sourced from PubChem (CID 126136661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).