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

C18H17F2N3O2 — CID 126132059

IUPAC4-fluoro-N-[(Z)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccc(N2CCOCC2)c(F)c1)c1ccc(F)cc1
InChIInChI=1S/C18H17F2N3O2/c19-15-4-2-14(3-5-15)18(24)22-21-12-13-1-6-17(16(20)11-13)23-7-9-25-10-8-23/h1-6,11-12H,7-10H2,(H,22,24)/b21-12-
InChIKeyFDBUFAWENVKFDI-MTJSOVHGSA-N
MW345.35 g/mol
LogP2.57
Rot. Bonds4

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

4-fluoro-N-[(Z)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]benzamide (PubChem CID 126132059) has the molecular formula C18H17F2N3O2 and a molecular weight of 345.35 g/mol. Its IUPAC name is 4-fluoro-N-[(Z)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(Z)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]benzamide
PubChem CID126132059
Molecular FormulaC18H17F2N3O2
Molecular Weight345.35 g/mol
Exact Mass345.13
IUPAC Name4-fluoro-N-[(Z)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccc(N2CCOCC2)c(F)c1)c1ccc(F)cc1
InChIInChI=1S/C18H17F2N3O2/c19-15-4-2-14(3-5-15)18(24)22-21-12-13-1-6-17(16(20)11-13)23-7-9-25-10-8-23/h1-6,11-12H,7-10H2,(H,22,24)/b21-12-
InChIKeyFDBUFAWENVKFDI-MTJSOVHGSA-N
XLogP2.57
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 52.57
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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Related Compounds

4-ethoxy-N-[(E)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]benzamide
CID 17246516
2,4-dichloro-N-[(Z)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]benzamide
CID 126136661
3,4-dichloro-N-[(Z)-(3-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]benzamide
CID 126072342
2-(4-bromophenyl)-N-[(E)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]acetamide
CID 19061673
N-[(Z)-(3,4-difluorophenyl)methylideneamino]-4-fluorobenzamide
CID 9016709
5-bromo-N-[(E)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 126151566
N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-morpholin-4-ylbenzamide
CID 135932618
4-fluoro-N-[(E)-(4-fluorophenyl)methylideneamino]benzamide
CID 5333155
4-fluoro-N-[(Z)-(4-fluorophenyl)methylideneamino]benzamide
CID 5394348
4-fluoro-N-(5-fluoro-2-morpholin-4-ylphenyl)benzamide
CID 113092686
4-fluoro-N-[(Z)-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]benzamide
CID 9016723
N-[(E)-(3,4-difluorophenyl)methylideneamino]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide
CID 55352710

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(Z)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]benzamide?
The IUPAC name of 4-fluoro-N-[(Z)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]benzamide (CID 126132059) is 4-fluoro-N-[(Z)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-fluoro-N-[(Z)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-fluoro-N-[(Z)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]benzamide is O=C(N/N=C\c1ccc(N2CCOCC2)c(F)c1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[(Z)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]benzamide?
The InChIKey is FDBUFAWENVKFDI-MTJSOVHGSA-N. The full InChI is InChI=1S/C18H17F2N3O2/c19-15-4-2-14(3-5-15)18(24)22-21-12-13-1-6-17(16(20)11-13)23-7-9-25-10-8-23/h1-6,11-12H,7-10H2,(H,22,24)/b21-12-.
What are the key properties of 4-fluoro-N-[(Z)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]benzamide?
4-fluoro-N-[(Z)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]benzamide has a molecular weight of 345.35 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(Z)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]benzamide is sourced from PubChem (CID 126132059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).