(4E)-N'-benzoyl-4-[(4-fluorophenyl)hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carbohydrazide

C23H21FN4O3 — CID 19161539

IUPAC(4E)-N'-benzoyl-4-[(4-fluorophenyl)hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)c2ccccc2)oc2c1/C(=N/Nc1ccc(F)cc1)CCC2
InChIInChI=1S/C23H21FN4O3/c1-14-20-18(26-25-17-12-10-16(24)11-13-17)8-5-9-19(20)31-21(14)23(30)28-27-22(29)15-6-3-2-4-7-15/h2-4,6-7,10-13,25H,5,8-9H2,1H3,(H,27,29)(H,28,30)/b26-18+
InChIKeyQAQALRGASSYGQG-NLRVBDNBSA-N
MW420.44 g/mol
LogP3.95
Rot. Bonds4

About (4E)-N'-benzoyl-4-[(4-fluorophenyl)hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carbohydrazide

(4E)-N'-benzoyl-4-[(4-fluorophenyl)hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carbohydrazide (PubChem CID 19161539) has the molecular formula C23H21FN4O3 and a molecular weight of 420.44 g/mol. Its IUPAC name is (4E)-N'-benzoyl-4-[(4-fluorophenyl)hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound Name(4E)-N'-benzoyl-4-[(4-fluorophenyl)hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carbohydrazide
PubChem CID19161539
Molecular FormulaC23H21FN4O3
Molecular Weight420.44 g/mol
Exact Mass420.16
IUPAC Name(4E)-N'-benzoyl-4-[(4-fluorophenyl)hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)c2ccccc2)oc2c1/C(=N/Nc1ccc(F)cc1)CCC2
InChIInChI=1S/C23H21FN4O3/c1-14-20-18(26-25-17-12-10-16(24)11-13-17)8-5-9-19(20)31-21(14)23(30)28-27-22(29)15-6-3-2-4-7-15/h2-4,6-7,10-13,25H,5,8-9H2,1H3,(H,27,29)(H,28,30)/b26-18+
InChIKeyQAQALRGASSYGQG-NLRVBDNBSA-N
XLogP3.95
TPSA95.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

(4E)-4-[(4-fluorophenyl)hydrazinylidene]-3-methyl-N'-(4-methylbenzoyl)-6,7-dihydro-5H-1-benzofuran-2-carbohydrazide
CID 19161540
(4E)-4-[(4-fluorophenyl)hydrazinylidene]-N'-(4-methoxybenzoyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carbohydrazide
CID 19161552
N-[(E)-[2-[[(4-fluorobenzoyl)amino]carbamoyl]-3-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]-4-phenylbenzamide
CID 19160703
(4E)-4-[(4-fluorophenyl)hydrazinylidene]-3-methyl-N',N'-diphenyl-6,7-dihydro-5H-1-benzofuran-2-carbohydrazide
CID 19161513
(4E)-3-methyl-N'-(4-nitrobenzoyl)-4-(phenylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carbohydrazide
CID 19161881
(4E)-N-tert-butyl-4-[(4-fluorophenyl)hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19161458
(4E)-N-(3,5-dimethylphenyl)-4-[(4-fluorophenyl)hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19161460
N-[(E)-[2-(benzamidocarbamoyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]pyridine-4-carboxamide
CID 19158349
4-fluoro-N-[(E)-[2-[[(2-fluorobenzoyl)amino]carbamoyl]-3-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]benzamide
CID 19156172
3-chloro-N-[(E)-[2-[[(4-fluorobenzoyl)amino]carbamoyl]-3-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]benzamide
CID 19157513
(4E)-N-(2,4-difluorophenyl)-3-methyl-4-(phenylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19161913
(4E)-4-[(4-fluorophenyl)hydrazinylidene]-3-methyl-N-(pyridin-3-ylmethyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19161467

Frequently Asked Questions

What is the IUPAC name of (4E)-N'-benzoyl-4-[(4-fluorophenyl)hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carbohydrazide?
The IUPAC name of (4E)-N'-benzoyl-4-[(4-fluorophenyl)hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carbohydrazide (CID 19161539) is (4E)-N'-benzoyl-4-[(4-fluorophenyl)hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for (4E)-N'-benzoyl-4-[(4-fluorophenyl)hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carbohydrazide?
The canonical SMILES for (4E)-N'-benzoyl-4-[(4-fluorophenyl)hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carbohydrazide is Cc1c(C(=O)NNC(=O)c2ccccc2)oc2c1/C(=N/Nc1ccc(F)cc1)CCC2.
What is the InChIKey of (4E)-N'-benzoyl-4-[(4-fluorophenyl)hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carbohydrazide?
The InChIKey is QAQALRGASSYGQG-NLRVBDNBSA-N. The full InChI is InChI=1S/C23H21FN4O3/c1-14-20-18(26-25-17-12-10-16(24)11-13-17)8-5-9-19(20)31-21(14)23(30)28-27-22(29)15-6-3-2-4-7-15/h2-4,6-7,10-13,25H,5,8-9H2,1H3,(H,27,29)(H,28,30)/b26-18+.
What are the key properties of (4E)-N'-benzoyl-4-[(4-fluorophenyl)hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carbohydrazide?
(4E)-N'-benzoyl-4-[(4-fluorophenyl)hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carbohydrazide has a molecular weight of 420.44 g/mol, XLogP of 3.95, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-N'-benzoyl-4-[(4-fluorophenyl)hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 19161539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).