5-chloro-2-[(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]phenol

C17H16ClFN2O2 — CID 126146571

IUPAC5-chloro-2-[(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]phenol
SMILESOc1cc(Cl)ccc1/N=C/c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C17H16ClFN2O2/c18-13-2-3-15(17(22)10-13)20-11-12-1-4-16(14(19)9-12)21-5-7-23-8-6-21/h1-4,9-11,22H,5-8H2/b20-11+
InChIKeyRBMFZWFJRFNZBZ-RGVLZGJSSA-N
MW334.78 g/mol
LogP3.77
Rot. Bonds3

About 5-chloro-2-[(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]phenol

5-chloro-2-[(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]phenol (PubChem CID 126146571) has the molecular formula C17H16ClFN2O2 and a molecular weight of 334.78 g/mol. Its IUPAC name is 5-chloro-2-[(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]phenol.

Molecular Properties

Compound Name5-chloro-2-[(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]phenol
PubChem CID126146571
Molecular FormulaC17H16ClFN2O2
Molecular Weight334.78 g/mol
Exact Mass334.09
IUPAC Name5-chloro-2-[(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]phenol
SMILESOc1cc(Cl)ccc1/N=C/c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C17H16ClFN2O2/c18-13-2-3-15(17(22)10-13)20-11-12-1-4-16(14(19)9-12)21-5-7-23-8-6-21/h1-4,9-11,22H,5-8H2/b20-11+
InChIKeyRBMFZWFJRFNZBZ-RGVLZGJSSA-N
XLogP3.77
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.78
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]phenol?
The IUPAC name of 5-chloro-2-[(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]phenol (CID 126146571) is 5-chloro-2-[(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]phenol.
What is the SMILES notation for 5-chloro-2-[(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]phenol?
The canonical SMILES for 5-chloro-2-[(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]phenol is Oc1cc(Cl)ccc1/N=C/c1ccc(N2CCOCC2)c(F)c1.
What is the InChIKey of 5-chloro-2-[(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]phenol?
The InChIKey is RBMFZWFJRFNZBZ-RGVLZGJSSA-N. The full InChI is InChI=1S/C17H16ClFN2O2/c18-13-2-3-15(17(22)10-13)20-11-12-1-4-16(14(19)9-12)21-5-7-23-8-6-21/h1-4,9-11,22H,5-8H2/b20-11+.
What are the key properties of 5-chloro-2-[(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]phenol?
5-chloro-2-[(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]phenol has a molecular weight of 334.78 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]phenol is sourced from PubChem (CID 126146571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).