methyl 4-[(E)-(benzo[e][1]benzofuran-2-carbonylhydrazinylidene)methyl]benzoate

C22H16N2O4 — CID 73254287

IUPACmethyl 4-[(E)-(benzo[e][1]benzofuran-2-carbonylhydrazinylidene)methyl]benzoate
SMILESCOC(=O)c1ccc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc1
InChIInChI=1S/C22H16N2O4/c1-27-22(26)16-8-6-14(7-9-16)13-23-24-21(25)20-12-18-17-5-3-2-4-15(17)10-11-19(18)28-20/h2-13H,1H3,(H,24,25)/b23-13+
InChIKeyLGZYXXSXSZMFHW-YDZHTSKRSA-N
MW372.38 g/mol
LogP4.14
Rot. Bonds4

About methyl 4-[(E)-(benzo[e][1]benzofuran-2-carbonylhydrazinylidene)methyl]benzoate

methyl 4-[(E)-(benzo[e][1]benzofuran-2-carbonylhydrazinylidene)methyl]benzoate (PubChem CID 73254287) has the molecular formula C22H16N2O4 and a molecular weight of 372.38 g/mol. Its IUPAC name is methyl 4-[(E)-(benzo[e][1]benzofuran-2-carbonylhydrazinylidene)methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(E)-(benzo[e][1]benzofuran-2-carbonylhydrazinylidene)methyl]benzoate
PubChem CID73254287
Molecular FormulaC22H16N2O4
Molecular Weight372.38 g/mol
Exact Mass372.11
IUPAC Namemethyl 4-[(E)-(benzo[e][1]benzofuran-2-carbonylhydrazinylidene)methyl]benzoate
SMILESCOC(=O)c1ccc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc1
InChIInChI=1S/C22H16N2O4/c1-27-22(26)16-8-6-14(7-9-16)13-23-24-21(25)20-12-18-17-5-3-2-4-15(17)10-11-19(18)28-20/h2-13H,1H3,(H,24,25)/b23-13+
InChIKeyLGZYXXSXSZMFHW-YDZHTSKRSA-N
XLogP4.14
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 54.14
H-Bond Donors ≤ 51
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

N-[(E)-benzylideneamino]benzo[e][1]benzofuran-2-carboxamide
CID 11995312
N-[(E)-(4-methylsulfanylphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
CID 6876331
N-[(E)-(3-bromo-4-methylphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
CID 6876424
N-[(3-bromo-4-methylphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
CID 1003012
N-[(Z)-(2-methoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
CID 5411631
N-[(3,5-dichloro-2-methoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
CID 1003029
N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
CID 91970189
N-[(E)-(3,5-dichloro-4-prop-2-ynoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
CID 6876463
3-[5-[(benzo[e][1]benzofuran-2-carbonylhydrazinylidene)methyl]furan-2-yl]-4-methylbenzoic acid
CID 91970185
N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
CID 1027402
copper N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzo[e][1]benzofuran-2-carboxamide
CID 86575254
4-[(Z)-(1-benzofuran-2-carbonylhydrazinylidene)methyl]benzoic acid
CID 5427120

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(E)-(benzo[e][1]benzofuran-2-carbonylhydrazinylidene)methyl]benzoate?
The IUPAC name of methyl 4-[(E)-(benzo[e][1]benzofuran-2-carbonylhydrazinylidene)methyl]benzoate (CID 73254287) is methyl 4-[(E)-(benzo[e][1]benzofuran-2-carbonylhydrazinylidene)methyl]benzoate.
What is the SMILES notation for methyl 4-[(E)-(benzo[e][1]benzofuran-2-carbonylhydrazinylidene)methyl]benzoate?
The canonical SMILES for methyl 4-[(E)-(benzo[e][1]benzofuran-2-carbonylhydrazinylidene)methyl]benzoate is COC(=O)c1ccc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc1.
What is the InChIKey of methyl 4-[(E)-(benzo[e][1]benzofuran-2-carbonylhydrazinylidene)methyl]benzoate?
The InChIKey is LGZYXXSXSZMFHW-YDZHTSKRSA-N. The full InChI is InChI=1S/C22H16N2O4/c1-27-22(26)16-8-6-14(7-9-16)13-23-24-21(25)20-12-18-17-5-3-2-4-15(17)10-11-19(18)28-20/h2-13H,1H3,(H,24,25)/b23-13+.
What are the key properties of methyl 4-[(E)-(benzo[e][1]benzofuran-2-carbonylhydrazinylidene)methyl]benzoate?
methyl 4-[(E)-(benzo[e][1]benzofuran-2-carbonylhydrazinylidene)methyl]benzoate has a molecular weight of 372.38 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(E)-(benzo[e][1]benzofuran-2-carbonylhydrazinylidene)methyl]benzoate is sourced from PubChem (CID 73254287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).