N-[(E)-(2-fluorophenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide

C20H13FN2O2 — CID 6876336

IUPACN-[(E)-(2-fluorophenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
SMILESO=C(N/N=C/c1ccccc1F)c1cc2c(ccc3ccccc32)o1
InChIInChI=1S/C20H13FN2O2/c21-17-8-4-2-6-14(17)12-22-23-20(24)19-11-16-15-7-3-1-5-13(15)9-10-18(16)25-19/h1-12H,(H,23,24)/b22-12+
InChIKeyVFHJRRJULULMQH-WSDLNYQXSA-N
MW332.33 g/mol
LogP4.49
Rot. Bonds3

About N-[(E)-(2-fluorophenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide

N-[(E)-(2-fluorophenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide (PubChem CID 6876336) has the molecular formula C20H13FN2O2 and a molecular weight of 332.33 g/mol. Its IUPAC name is N-[(E)-(2-fluorophenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-fluorophenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
PubChem CID6876336
Molecular FormulaC20H13FN2O2
Molecular Weight332.33 g/mol
Exact Mass332.10
IUPAC NameN-[(E)-(2-fluorophenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
SMILESO=C(N/N=C/c1ccccc1F)c1cc2c(ccc3ccccc32)o1
InChIInChI=1S/C20H13FN2O2/c21-17-8-4-2-6-14(17)12-22-23-20(24)19-11-16-15-7-3-1-5-13(15)9-10-18(16)25-19/h1-12H,(H,23,24)/b22-12+
InChIKeyVFHJRRJULULMQH-WSDLNYQXSA-N
XLogP4.49
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'-(3-bromo-4-hydroxybenzylidene)naphtho[2,1-b]furan-2-carbohydrazide
CID 135494677
N'-(1-naphthylmethylene)-1-benzofuran-2-carbohydrazide
CID 6873935
N'-(2,4-dimethoxybenzylidene)naphtho[2,1-b]furan-2-carbohydrazide
CID 6876216
N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-4-phenoxybenzamide
CID 44263380
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-1-benzofuran-2-carboxamide
CID 6886843
2-Fluoro-benzoic acid (2-methoxy-naphthalen-1-ylmethylene)-hydrazide
CID 6907975
5-[(2,3-dihydro-1H-inden-5-yloxy)methyl]-N'-(2-naphthylmethylene)-2-furohydrazide
CID 6874804
N'-{3-nitro-4-methylbenzylidene}naphtho[2,1-b]furan-2-carbohydrazide
CID 6876329
N'-[(4-oxo-4H-chromen-3-yl)methylene]-1-benzofuran-2-carbohydrazide
CID 9557333
N'-{3-nitrobenzylidene}naphtho[2,1-b]furan-2-carbohydrazide
CID 9564854
N'-(3,5-dibromo-4-hydroxybenzylidene)naphtho[2,1-b]furan-2-carbohydrazide
CID 135648080
Naphtho[2,1-b]furan-2-carbohydrazide
CID 2764524

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-fluorophenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide?
The IUPAC name of N-[(E)-(2-fluorophenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide (CID 6876336) is N-[(E)-(2-fluorophenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide.
What is the SMILES notation for N-[(E)-(2-fluorophenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide?
The canonical SMILES for N-[(E)-(2-fluorophenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide is O=C(N/N=C/c1ccccc1F)c1cc2c(ccc3ccccc32)o1.
What is the InChIKey of N-[(E)-(2-fluorophenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide?
The InChIKey is VFHJRRJULULMQH-WSDLNYQXSA-N. The full InChI is InChI=1S/C20H13FN2O2/c21-17-8-4-2-6-14(17)12-22-23-20(24)19-11-16-15-7-3-1-5-13(15)9-10-18(16)25-19/h1-12H,(H,23,24)/b22-12+.
What are the key properties of N-[(E)-(2-fluorophenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide?
N-[(E)-(2-fluorophenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide has a molecular weight of 332.33 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-fluorophenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide is sourced from PubChem (CID 6876336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).