(4E)-3-methyl-N-(3-methylphenyl)-4-(phenylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxamide

C23H23N3O2 — CID 19161861

IUPAC(4E)-3-methyl-N-(3-methylphenyl)-4-(phenylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxamide
SMILESCc1cccc(NC(=O)c2oc3c(c2C)/C(=N/Nc2ccccc2)CCC3)c1
InChIInChI=1S/C23H23N3O2/c1-15-8-6-11-18(14-15)24-23(27)22-16(2)21-19(12-7-13-20(21)28-22)26-25-17-9-4-3-5-10-17/h3-6,8-11,14,25H,7,12-13H2,1-2H3,(H,24,27)/b26-19+
InChIKeyCZUMVFFHGAIAEN-LGUFXXKBSA-N
MW373.46 g/mol
LogP5.30
Rot. Bonds4

About (4E)-3-methyl-N-(3-methylphenyl)-4-(phenylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxamide

(4E)-3-methyl-N-(3-methylphenyl)-4-(phenylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxamide (PubChem CID 19161861) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is (4E)-3-methyl-N-(3-methylphenyl)-4-(phenylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(4E)-3-methyl-N-(3-methylphenyl)-4-(phenylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxamide
PubChem CID19161861
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name(4E)-3-methyl-N-(3-methylphenyl)-4-(phenylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxamide
SMILESCc1cccc(NC(=O)c2oc3c(c2C)/C(=N/Nc2ccccc2)CCC3)c1
InChIInChI=1S/C23H23N3O2/c1-15-8-6-11-18(14-15)24-23(27)22-16(2)21-19(12-7-13-20(21)28-22)26-25-17-9-4-3-5-10-17/h3-6,8-11,14,25H,7,12-13H2,1-2H3,(H,24,27)/b26-19+
InChIKeyCZUMVFFHGAIAEN-LGUFXXKBSA-N
XLogP5.30
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.46
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(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-[(2-phenoxyacetyl)hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19160181
(4E)-3-methyl-4-(phenylhydrazinylidene)-N-pyridin-2-yl-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19161910
(4E)-N-(3,5-dimethylphenyl)-4-[(4-fluorophenyl)hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19161460
(4E)-N-(4-ethoxyphenyl)-3-methyl-4-(phenylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19161871
(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-quinolin-8-yl-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19161919
5-bromo-N-[(E)-[3-methyl-2-[(3-methylphenyl)carbamoyl]-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]pyridine-3-carboxamide
CID 19160853
(4E)-4-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]hydrazinylidene]-3-methyl-N-(3-methylphenyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19163370
(4E)-N-(2-bromo-4-methylphenyl)-3-methyl-4-[[3-(trifluoromethyl)phenyl]hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19161741
N-[(E)-[2-(anilinocarbamoyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]-3-methylbenzamide
CID 19155458
(4E)-N-(3-chlorophenyl)-4-[(2,2-diphenylacetyl)hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19159846

Frequently Asked Questions

What is the IUPAC name of (4E)-3-methyl-N-(3-methylphenyl)-4-(phenylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxamide?
The IUPAC name of (4E)-3-methyl-N-(3-methylphenyl)-4-(phenylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxamide (CID 19161861) is (4E)-3-methyl-N-(3-methylphenyl)-4-(phenylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxamide.
What is the SMILES notation for (4E)-3-methyl-N-(3-methylphenyl)-4-(phenylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxamide?
The canonical SMILES for (4E)-3-methyl-N-(3-methylphenyl)-4-(phenylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxamide is Cc1cccc(NC(=O)c2oc3c(c2C)/C(=N/Nc2ccccc2)CCC3)c1.
What is the InChIKey of (4E)-3-methyl-N-(3-methylphenyl)-4-(phenylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxamide?
The InChIKey is CZUMVFFHGAIAEN-LGUFXXKBSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-15-8-6-11-18(14-15)24-23(27)22-16(2)21-19(12-7-13-20(21)28-22)26-25-17-9-4-3-5-10-17/h3-6,8-11,14,25H,7,12-13H2,1-2H3,(H,24,27)/b26-19+.
What are the key properties of (4E)-3-methyl-N-(3-methylphenyl)-4-(phenylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxamide?
(4E)-3-methyl-N-(3-methylphenyl)-4-(phenylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 5.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-3-methyl-N-(3-methylphenyl)-4-(phenylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxamide is sourced from PubChem (CID 19161861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).