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

C18H18FN3O2 — CID 2330481

IUPAC2-fluoro-N-[(4-morpholin-4-ylphenyl)methylideneamino]benzamide
SMILESO=C(NN=Cc1ccc(N2CCOCC2)cc1)c1ccccc1F
InChIInChI=1S/C18H18FN3O2/c19-17-4-2-1-3-16(17)18(23)21-20-13-14-5-7-15(8-6-14)22-9-11-24-12-10-22/h1-8,13H,9-12H2,(H,21,23)
InChIKeyPRAQGGWELFMVQZ-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.43
Rot. Bonds4

About 2-fluoro-N-[(4-morpholin-4-ylphenyl)methylideneamino]benzamide

2-fluoro-N-[(4-morpholin-4-ylphenyl)methylideneamino]benzamide (PubChem CID 2330481) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is 2-fluoro-N-[(4-morpholin-4-ylphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(4-morpholin-4-ylphenyl)methylideneamino]benzamide
PubChem CID2330481
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name2-fluoro-N-[(4-morpholin-4-ylphenyl)methylideneamino]benzamide
SMILESO=C(NN=Cc1ccc(N2CCOCC2)cc1)c1ccccc1F
InChIInChI=1S/C18H18FN3O2/c19-17-4-2-1-3-16(17)18(23)21-20-13-14-5-7-15(8-6-14)22-9-11-24-12-10-22/h1-8,13H,9-12H2,(H,21,23)
InChIKeyPRAQGGWELFMVQZ-UHFFFAOYSA-N
XLogP2.43
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.43
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'}

Analyze 2-fluoro-N-[(4-morpholin-4-ylphenyl)methylideneamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-N-(4-morpholin-4-ylphenyl)benzamide
CID 781635
N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-morpholin-4-ylbenzamide
CID 135932618
N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]thiophene-2-carboxamide
CID 6906036
2-[(2E)-2-[(4-morpholin-4-ylphenyl)methylidene]hydrazinyl]benzoic acid
CID 45327412
2-fluoro-N-(furan-3-ylmethylideneamino)benzamide
CID 24819065
2-fluoro-N-[(E)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]benzamide
CID 6904363
1,3-bis[(E)-(4-morpholin-4-ylphenyl)methylideneamino]thiourea
CID 6905503
N-[(4-ethylphenyl)methylideneamino]-2-fluorobenzamide
CID 2593298
2-fluoro-N-(3-morpholin-4-ylphenyl)benzamide
CID 110362329
3-methyl-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-4-oxophthalazine-1-carboxamide
CID 7966351
[(4-morpholin-4-ylphenyl)methylideneamino]thiourea
CID 957717
6-amino-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]pyridine-3-carboxamide
CID 170647589

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(4-morpholin-4-ylphenyl)methylideneamino]benzamide?
The IUPAC name of 2-fluoro-N-[(4-morpholin-4-ylphenyl)methylideneamino]benzamide (CID 2330481) is 2-fluoro-N-[(4-morpholin-4-ylphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-fluoro-N-[(4-morpholin-4-ylphenyl)methylideneamino]benzamide?
The canonical SMILES for 2-fluoro-N-[(4-morpholin-4-ylphenyl)methylideneamino]benzamide is O=C(NN=Cc1ccc(N2CCOCC2)cc1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[(4-morpholin-4-ylphenyl)methylideneamino]benzamide?
The InChIKey is PRAQGGWELFMVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c19-17-4-2-1-3-16(17)18(23)21-20-13-14-5-7-15(8-6-14)22-9-11-24-12-10-22/h1-8,13H,9-12H2,(H,21,23).
What are the key properties of 2-fluoro-N-[(4-morpholin-4-ylphenyl)methylideneamino]benzamide?
2-fluoro-N-[(4-morpholin-4-ylphenyl)methylideneamino]benzamide has a molecular weight of 327.36 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(4-morpholin-4-ylphenyl)methylideneamino]benzamide is sourced from PubChem (CID 2330481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).