N-[(Z)-(2-methoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide

C21H16N2O3 — CID 5411631

IUPACN-[(Z)-(2-methoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
SMILESCOc1ccccc1/C=N\NC(=O)c1cc2c(ccc3ccccc32)o1
InChIInChI=1S/C21H16N2O3/c1-25-18-9-5-3-7-15(18)13-22-23-21(24)20-12-17-16-8-4-2-6-14(16)10-11-19(17)26-20/h2-13H,1H3,(H,23,24)/b22-13-
InChIKeyBBNHNJBZQOESPZ-XKZIYDEJSA-N
MW344.37 g/mol
LogP4.36
Rot. Bonds4

About N-[(Z)-(2-methoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide

N-[(Z)-(2-methoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide (PubChem CID 5411631) has the molecular formula C21H16N2O3 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-[(Z)-(2-methoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(2-methoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
PubChem CID5411631
Molecular FormulaC21H16N2O3
Molecular Weight344.37 g/mol
Exact Mass344.12
IUPAC NameN-[(Z)-(2-methoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
SMILESCOc1ccccc1/C=N\NC(=O)c1cc2c(ccc3ccccc32)o1
InChIInChI=1S/C21H16N2O3/c1-25-18-9-5-3-7-15(18)13-22-23-21(24)20-12-17-16-8-4-2-6-14(16)10-11-19(17)26-20/h2-13H,1H3,(H,23,24)/b22-13-
InChIKeyBBNHNJBZQOESPZ-XKZIYDEJSA-N
XLogP4.36
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 54.36
H-Bond Donors ≤ 51
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

N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
CID 91970189
N-[(3,5-dichloro-2-methoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
CID 1003029
N-[(E)-benzylideneamino]benzo[e][1]benzofuran-2-carboxamide
CID 11995312
methyl 4-[(E)-(benzo[e][1]benzofuran-2-carbonylhydrazinylidene)methyl]benzoate
CID 73254287
N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
CID 1027402
N-[(E)-(4-methylsulfanylphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
CID 6876331
N-[(E)-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]benzo[e][1]benzofuran-2-carboxamide
CID 6876408
ethyl 2-[2-[(benzo[e][1]benzofuran-2-carbonylhydrazinylidene)methyl]-4-bromophenoxy]acetate
CID 1003027
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-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 6873936
N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-3-oxobenzo[f]chromene-2-carboxamide
CID 177386306

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-methoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide?
The IUPAC name of N-[(Z)-(2-methoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide (CID 5411631) is N-[(Z)-(2-methoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide.
What is the SMILES notation for N-[(Z)-(2-methoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide?
The canonical SMILES for N-[(Z)-(2-methoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide is COc1ccccc1/C=N\NC(=O)c1cc2c(ccc3ccccc32)o1.
What is the InChIKey of N-[(Z)-(2-methoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide?
The InChIKey is BBNHNJBZQOESPZ-XKZIYDEJSA-N. The full InChI is InChI=1S/C21H16N2O3/c1-25-18-9-5-3-7-15(18)13-22-23-21(24)20-12-17-16-8-4-2-6-14(16)10-11-19(17)26-20/h2-13H,1H3,(H,23,24)/b22-13-.
What are the key properties of N-[(Z)-(2-methoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide?
N-[(Z)-(2-methoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-methoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide is sourced from PubChem (CID 5411631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).