4-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-(4-morpholin-4-ylphenyl)benzamide

C21H24FN3O3 — CID 146427574

IUPAC4-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-(4-morpholin-4-ylphenyl)benzamide
SMILESNC/C(=C/F)COc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C21H24FN3O3/c22-13-16(14-23)15-28-20-7-1-17(2-8-20)21(26)24-18-3-5-19(6-4-18)25-9-11-27-12-10-25/h1-8,13H,9-12,14-15,23H2,(H,24,26)/b16-13-
InChIKeyZVBXJUTXLIQYQD-SSZFMOIBSA-N
MW385.44 g/mol
LogP2.97
Rot. Bonds7

About 4-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-(4-morpholin-4-ylphenyl)benzamide

4-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-(4-morpholin-4-ylphenyl)benzamide (PubChem CID 146427574) has the molecular formula C21H24FN3O3 and a molecular weight of 385.44 g/mol. Its IUPAC name is 4-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-(4-morpholin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name4-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-(4-morpholin-4-ylphenyl)benzamide
PubChem CID146427574
Molecular FormulaC21H24FN3O3
Molecular Weight385.44 g/mol
Exact Mass385.18
IUPAC Name4-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-(4-morpholin-4-ylphenyl)benzamide
SMILESNC/C(=C/F)COc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C21H24FN3O3/c22-13-16(14-23)15-28-20-7-1-17(2-8-20)21(26)24-18-3-5-19(6-4-18)25-9-11-27-12-10-25/h1-8,13H,9-12,14-15,23H2,(H,24,26)/b16-13-
InChIKeyZVBXJUTXLIQYQD-SSZFMOIBSA-N
XLogP2.97
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 4-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-(4-morpholin-4-ylphenyl)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

4-morpholin-4-yl-N-[4-[4-[(4-morpholin-4-ylbenzoyl)amino]anilino]phenyl]benzamide
CID 67686927
4-acetyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 803418
N-(4-morpholin-4-ylphenyl)-2-phenoxyacetamide
CID 675127
4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(4-morpholin-4-ylphenyl)benzamide
CID 39967725
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
CID 9252709
N-(4-piperidin-1-ylphenyl)-4-prop-2-enoxybenzamide
CID 39693235
4-morpholin-4-yl-N-[4-[4-(propylamino)benzoyl]phenyl]benzamide
CID 67112698
N,N-dimethyl-4-[(4-morpholin-4-ylbenzoyl)amino]benzamide
CID 70703870
3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]-N-(4-morpholin-4-ylphenyl)benzamide
CID 16552244
4-morpholin-4-yl-N-(3-prop-2-enoxyphenyl)benzamide
CID 21367147
N-[4-[4-(4-cyanophenyl)piperazin-1-yl]phenyl]-4-[2-(2-fluoroethoxy)ethoxy]benzamide
CID 142608248
(E)-3-fluoro-2-[[4-(4-morpholin-4-yl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine
CID 146512161

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-(4-morpholin-4-ylphenyl)benzamide?
The IUPAC name of 4-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-(4-morpholin-4-ylphenyl)benzamide (CID 146427574) is 4-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-(4-morpholin-4-ylphenyl)benzamide.
What is the SMILES notation for 4-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-(4-morpholin-4-ylphenyl)benzamide?
The canonical SMILES for 4-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-(4-morpholin-4-ylphenyl)benzamide is NC/C(=C/F)COc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1.
What is the InChIKey of 4-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-(4-morpholin-4-ylphenyl)benzamide?
The InChIKey is ZVBXJUTXLIQYQD-SSZFMOIBSA-N. The full InChI is InChI=1S/C21H24FN3O3/c22-13-16(14-23)15-28-20-7-1-17(2-8-20)21(26)24-18-3-5-19(6-4-18)25-9-11-27-12-10-25/h1-8,13H,9-12,14-15,23H2,(H,24,26)/b16-13-.
What are the key properties of 4-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-(4-morpholin-4-ylphenyl)benzamide?
4-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-(4-morpholin-4-ylphenyl)benzamide has a molecular weight of 385.44 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-(4-morpholin-4-ylphenyl)benzamide is sourced from PubChem (CID 146427574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).