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

C28H25FN4O2 — CID 19161513

IUPAC(4E)-4-[(4-fluorophenyl)hydrazinylidene]-3-methyl-N',N'-diphenyl-6,7-dihydro-5H-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1/C(=N/Nc1ccc(F)cc1)CCC2
InChIInChI=1S/C28H25FN4O2/c1-19-26-24(31-30-21-17-15-20(29)16-18-21)13-8-14-25(26)35-27(19)28(34)32-33(22-9-4-2-5-10-22)23-11-6-3-7-12-23/h2-7,9-12,15-18,30H,8,13-14H2,1H3,(H,32,34)/b31-24+
InChIKeyOLKBKIQAOIZNOJ-QFMPWRQOSA-N
MW468.53 g/mol
LogP6.36
Rot. Bonds6

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

(4E)-4-[(4-fluorophenyl)hydrazinylidene]-3-methyl-N',N'-diphenyl-6,7-dihydro-5H-1-benzofuran-2-carbohydrazide (PubChem CID 19161513) has the molecular formula C28H25FN4O2 and a molecular weight of 468.53 g/mol. Its IUPAC name is (4E)-4-[(4-fluorophenyl)hydrazinylidene]-3-methyl-N',N'-diphenyl-6,7-dihydro-5H-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound Name(4E)-4-[(4-fluorophenyl)hydrazinylidene]-3-methyl-N',N'-diphenyl-6,7-dihydro-5H-1-benzofuran-2-carbohydrazide
PubChem CID19161513
Molecular FormulaC28H25FN4O2
Molecular Weight468.53 g/mol
Exact Mass468.20
IUPAC Name(4E)-4-[(4-fluorophenyl)hydrazinylidene]-3-methyl-N',N'-diphenyl-6,7-dihydro-5H-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1/C(=N/Nc1ccc(F)cc1)CCC2
InChIInChI=1S/C28H25FN4O2/c1-19-26-24(31-30-21-17-15-20(29)16-18-21)13-8-14-25(26)35-27(19)28(34)32-33(22-9-4-2-5-10-22)23-11-6-3-7-12-23/h2-7,9-12,15-18,30H,8,13-14H2,1H3,(H,32,34)/b31-24+
InChIKeyOLKBKIQAOIZNOJ-QFMPWRQOSA-N
XLogP6.36
TPSA69.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.53
LogP ≤ 56.36
H-Bond Donors ≤ 52
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)-N'-benzoyl-4-[(4-fluorophenyl)hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carbohydrazide
CID 19161539
(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
2,2,3,3,4,4,4-heptafluoro-N-[(E)-[3-methyl-2-[(N-phenylanilino)carbamoyl]-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]butanamide
CID 19161009
(4E)-4-[(4-fluorophenyl)hydrazinylidene]-3-methyl-N'-(4-methylbenzoyl)-6,7-dihydro-5H-1-benzofuran-2-carbohydrazide
CID 19161540
(4E)-N-(2,4-difluorophenyl)-3-methyl-4-(phenylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19161913
(4E)-3-methyl-4-(phenylhydrazinylidene)-N-pyridin-2-yl-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19161910
(4E)-4-[(4-fluorophenyl)hydrazinylidene]-3-methyl-N-(pyridin-3-ylmethyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19161467
(4E)-4-[(4-fluorophenyl)hydrazinylidene]-N'-(4-methoxybenzoyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carbohydrazide
CID 19161552
2,4-dichloro-N-[(E)-[3-methyl-2-[(N-phenylanilino)carbamoyl]-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]benzamide
CID 19157987
(4E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-4-(phenylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19161923
(4E)-3-methyl-N-(3-methylphenyl)-4-(phenylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19161861

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[(4-fluorophenyl)hydrazinylidene]-3-methyl-N',N'-diphenyl-6,7-dihydro-5H-1-benzofuran-2-carbohydrazide?
The IUPAC name of (4E)-4-[(4-fluorophenyl)hydrazinylidene]-3-methyl-N',N'-diphenyl-6,7-dihydro-5H-1-benzofuran-2-carbohydrazide (CID 19161513) is (4E)-4-[(4-fluorophenyl)hydrazinylidene]-3-methyl-N',N'-diphenyl-6,7-dihydro-5H-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for (4E)-4-[(4-fluorophenyl)hydrazinylidene]-3-methyl-N',N'-diphenyl-6,7-dihydro-5H-1-benzofuran-2-carbohydrazide?
The canonical SMILES for (4E)-4-[(4-fluorophenyl)hydrazinylidene]-3-methyl-N',N'-diphenyl-6,7-dihydro-5H-1-benzofuran-2-carbohydrazide is Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1/C(=N/Nc1ccc(F)cc1)CCC2.
What is the InChIKey of (4E)-4-[(4-fluorophenyl)hydrazinylidene]-3-methyl-N',N'-diphenyl-6,7-dihydro-5H-1-benzofuran-2-carbohydrazide?
The InChIKey is OLKBKIQAOIZNOJ-QFMPWRQOSA-N. The full InChI is InChI=1S/C28H25FN4O2/c1-19-26-24(31-30-21-17-15-20(29)16-18-21)13-8-14-25(26)35-27(19)28(34)32-33(22-9-4-2-5-10-22)23-11-6-3-7-12-23/h2-7,9-12,15-18,30H,8,13-14H2,1H3,(H,32,34)/b31-24+.
What are the key properties of (4E)-4-[(4-fluorophenyl)hydrazinylidene]-3-methyl-N',N'-diphenyl-6,7-dihydro-5H-1-benzofuran-2-carbohydrazide?
(4E)-4-[(4-fluorophenyl)hydrazinylidene]-3-methyl-N',N'-diphenyl-6,7-dihydro-5H-1-benzofuran-2-carbohydrazide has a molecular weight of 468.53 g/mol, XLogP of 6.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(4-fluorophenyl)hydrazinylidene]-3-methyl-N',N'-diphenyl-6,7-dihydro-5H-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 19161513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).