N-[6-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-5-morpholin-4-yl-6-oxohexyl]benzamide

C24H29FN4O3 — CID 4508547

IUPACN-[6-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-5-morpholin-4-yl-6-oxohexyl]benzamide
SMILESO=C(NCCCCC(C(=O)NN=Cc1ccc(F)cc1)N1CCOCC1)c1ccccc1
InChIInChI=1S/C24H29FN4O3/c25-21-11-9-19(10-12-21)18-27-28-24(31)22(29-14-16-32-17-15-29)8-4-5-13-26-23(30)20-6-2-1-3-7-20/h1-3,6-7,9-12,18,22H,4-5,8,13-17H2,(H,26,30)(H,28,31)
InChIKeyHBCAZYFQMJPBNP-UHFFFAOYSA-N
MW440.52 g/mol
LogP2.58
Rot. Bonds10

About N-[6-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-5-morpholin-4-yl-6-oxohexyl]benzamide

N-[6-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-5-morpholin-4-yl-6-oxohexyl]benzamide (PubChem CID 4508547) has the molecular formula C24H29FN4O3 and a molecular weight of 440.52 g/mol. Its IUPAC name is N-[6-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-5-morpholin-4-yl-6-oxohexyl]benzamide.

Molecular Properties

Compound NameN-[6-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-5-morpholin-4-yl-6-oxohexyl]benzamide
PubChem CID4508547
Molecular FormulaC24H29FN4O3
Molecular Weight440.52 g/mol
Exact Mass440.22
IUPAC NameN-[6-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-5-morpholin-4-yl-6-oxohexyl]benzamide
SMILESO=C(NCCCCC(C(=O)NN=Cc1ccc(F)cc1)N1CCOCC1)c1ccccc1
InChIInChI=1S/C24H29FN4O3/c25-21-11-9-19(10-12-21)18-27-28-24(31)22(29-14-16-32-17-15-29)8-4-5-13-26-23(30)20-6-2-1-3-7-20/h1-3,6-7,9-12,18,22H,4-5,8,13-17H2,(H,26,30)(H,28,31)
InChIKeyHBCAZYFQMJPBNP-UHFFFAOYSA-N
XLogP2.58
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[6-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-5-morpholin-4-yl-6-oxohexyl]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-5-morpholin-4-yl-6-oxohexyl]benzamide?
The IUPAC name of N-[6-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-5-morpholin-4-yl-6-oxohexyl]benzamide (CID 4508547) is N-[6-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-5-morpholin-4-yl-6-oxohexyl]benzamide.
What is the SMILES notation for N-[6-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-5-morpholin-4-yl-6-oxohexyl]benzamide?
The canonical SMILES for N-[6-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-5-morpholin-4-yl-6-oxohexyl]benzamide is O=C(NCCCCC(C(=O)NN=Cc1ccc(F)cc1)N1CCOCC1)c1ccccc1.
What is the InChIKey of N-[6-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-5-morpholin-4-yl-6-oxohexyl]benzamide?
The InChIKey is HBCAZYFQMJPBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O3/c25-21-11-9-19(10-12-21)18-27-28-24(31)22(29-14-16-32-17-15-29)8-4-5-13-26-23(30)20-6-2-1-3-7-20/h1-3,6-7,9-12,18,22H,4-5,8,13-17H2,(H,26,30)(H,28,31).
What are the key properties of N-[6-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-5-morpholin-4-yl-6-oxohexyl]benzamide?
N-[6-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-5-morpholin-4-yl-6-oxohexyl]benzamide has a molecular weight of 440.52 g/mol, XLogP of 2.58, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-5-morpholin-4-yl-6-oxohexyl]benzamide is sourced from PubChem (CID 4508547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).