4-ethoxy-N-[(E)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]benzamide

C20H22FN3O3 — CID 17246516

IUPAC4-ethoxy-N-[(E)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]benzamide
SMILESCCOc1ccc(C(=O)N/N=C/c2ccc(N3CCOCC3)c(F)c2)cc1
InChIInChI=1S/C20H22FN3O3/c1-2-27-17-6-4-16(5-7-17)20(25)23-22-14-15-3-8-19(18(21)13-15)24-9-11-26-12-10-24/h3-8,13-14H,2,9-12H2,1H3,(H,23,25)/b22-14+
InChIKeyKOWJIBRMYGTQDL-HYARGMPZSA-N
MW371.41 g/mol
LogP2.82
Rot. Bonds6

About 4-ethoxy-N-[(E)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]benzamide

4-ethoxy-N-[(E)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]benzamide (PubChem CID 17246516) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is 4-ethoxy-N-[(E)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[(E)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]benzamide
PubChem CID17246516
Molecular FormulaC20H22FN3O3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC Name4-ethoxy-N-[(E)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]benzamide
SMILESCCOc1ccc(C(=O)N/N=C/c2ccc(N3CCOCC3)c(F)c2)cc1
InChIInChI=1S/C20H22FN3O3/c1-2-27-17-6-4-16(5-7-17)20(25)23-22-14-15-3-8-19(18(21)13-15)24-9-11-26-12-10-24/h3-8,13-14H,2,9-12H2,1H3,(H,23,25)/b22-14+
InChIKeyKOWJIBRMYGTQDL-HYARGMPZSA-N
XLogP2.82
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Related Compounds

4-fluoro-N-[(Z)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]benzamide
CID 126132059
N-[(4-ethoxyphenyl)methylideneamino]-4-(morpholin-4-ylmethyl)benzamide
CID 3647150
N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-4-ethoxybenzamide
CID 9214902
1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 4674929
3,4,5-triethoxy-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]benzamide
CID 41082821
2,4-dichloro-N-[(Z)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]benzamide
CID 126136661
N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 136671572
4-chloro-N-[(Z)-(4-ethoxyphenyl)methylideneamino]benzamide
CID 5402776
2-(4-bromophenyl)-N-[(E)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]acetamide
CID 19061673
N-[(E)-2,3-dihydro-1H-inden-5-ylmethylideneamino]-4-ethoxybenzamide
CID 44722545
4-ethoxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 4249365
4-ethoxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 135472605

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(E)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]benzamide?
The IUPAC name of 4-ethoxy-N-[(E)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]benzamide (CID 17246516) is 4-ethoxy-N-[(E)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-ethoxy-N-[(E)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-ethoxy-N-[(E)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]benzamide is CCOc1ccc(C(=O)N/N=C/c2ccc(N3CCOCC3)c(F)c2)cc1.
What is the InChIKey of 4-ethoxy-N-[(E)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]benzamide?
The InChIKey is KOWJIBRMYGTQDL-HYARGMPZSA-N. The full InChI is InChI=1S/C20H22FN3O3/c1-2-27-17-6-4-16(5-7-17)20(25)23-22-14-15-3-8-19(18(21)13-15)24-9-11-26-12-10-24/h3-8,13-14H,2,9-12H2,1H3,(H,23,25)/b22-14+.
What are the key properties of 4-ethoxy-N-[(E)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]benzamide?
4-ethoxy-N-[(E)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]benzamide has a molecular weight of 371.41 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(E)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]benzamide is sourced from PubChem (CID 17246516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).