(4E)-4-[(4-fluorobenzoyl)hydrazinylidene]-3-methyl-N-(2-morpholin-4-ylethyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide

C23H27FN4O4 — CID 19156061

IUPAC(4E)-4-[(4-fluorobenzoyl)hydrazinylidene]-3-methyl-N-(2-morpholin-4-ylethyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCCN2CCOCC2)oc2c1/C(=N/NC(=O)c1ccc(F)cc1)CCC2
InChIInChI=1S/C23H27FN4O4/c1-15-20-18(26-27-22(29)16-5-7-17(24)8-6-16)3-2-4-19(20)32-21(15)23(30)25-9-10-28-11-13-31-14-12-28/h5-8H,2-4,9-14H2,1H3,(H,25,30)(H,27,29)/b26-18+
InChIKeyVHSMJFLAUXXLJV-NLRVBDNBSA-N
MW442.49 g/mol
LogP2.26
Rot. Bonds6

About (4E)-4-[(4-fluorobenzoyl)hydrazinylidene]-3-methyl-N-(2-morpholin-4-ylethyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide

(4E)-4-[(4-fluorobenzoyl)hydrazinylidene]-3-methyl-N-(2-morpholin-4-ylethyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide (PubChem CID 19156061) has the molecular formula C23H27FN4O4 and a molecular weight of 442.49 g/mol. Its IUPAC name is (4E)-4-[(4-fluorobenzoyl)hydrazinylidene]-3-methyl-N-(2-morpholin-4-ylethyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(4E)-4-[(4-fluorobenzoyl)hydrazinylidene]-3-methyl-N-(2-morpholin-4-ylethyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide
PubChem CID19156061
Molecular FormulaC23H27FN4O4
Molecular Weight442.49 g/mol
Exact Mass442.20
IUPAC Name(4E)-4-[(4-fluorobenzoyl)hydrazinylidene]-3-methyl-N-(2-morpholin-4-ylethyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCCN2CCOCC2)oc2c1/C(=N/NC(=O)c1ccc(F)cc1)CCC2
InChIInChI=1S/C23H27FN4O4/c1-15-20-18(26-27-22(29)16-5-7-17(24)8-6-16)3-2-4-19(20)32-21(15)23(30)25-9-10-28-11-13-31-14-12-28/h5-8H,2-4,9-14H2,1H3,(H,25,30)(H,27,29)/b26-18+
InChIKeyVHSMJFLAUXXLJV-NLRVBDNBSA-N
XLogP2.26
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of (4E)-4-[(4-fluorobenzoyl)hydrazinylidene]-3-methyl-N-(2-morpholin-4-ylethyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide?
The IUPAC name of (4E)-4-[(4-fluorobenzoyl)hydrazinylidene]-3-methyl-N-(2-morpholin-4-ylethyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide (CID 19156061) is (4E)-4-[(4-fluorobenzoyl)hydrazinylidene]-3-methyl-N-(2-morpholin-4-ylethyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide.
What is the SMILES notation for (4E)-4-[(4-fluorobenzoyl)hydrazinylidene]-3-methyl-N-(2-morpholin-4-ylethyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide?
The canonical SMILES for (4E)-4-[(4-fluorobenzoyl)hydrazinylidene]-3-methyl-N-(2-morpholin-4-ylethyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide is Cc1c(C(=O)NCCN2CCOCC2)oc2c1/C(=N/NC(=O)c1ccc(F)cc1)CCC2.
What is the InChIKey of (4E)-4-[(4-fluorobenzoyl)hydrazinylidene]-3-methyl-N-(2-morpholin-4-ylethyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide?
The InChIKey is VHSMJFLAUXXLJV-NLRVBDNBSA-N. The full InChI is InChI=1S/C23H27FN4O4/c1-15-20-18(26-27-22(29)16-5-7-17(24)8-6-16)3-2-4-19(20)32-21(15)23(30)25-9-10-28-11-13-31-14-12-28/h5-8H,2-4,9-14H2,1H3,(H,25,30)(H,27,29)/b26-18+.
What are the key properties of (4E)-4-[(4-fluorobenzoyl)hydrazinylidene]-3-methyl-N-(2-morpholin-4-ylethyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide?
(4E)-4-[(4-fluorobenzoyl)hydrazinylidene]-3-methyl-N-(2-morpholin-4-ylethyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide has a molecular weight of 442.49 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(4-fluorobenzoyl)hydrazinylidene]-3-methyl-N-(2-morpholin-4-ylethyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide is sourced from PubChem (CID 19156061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).