N-[(Z)-1-(7-ethoxy-1-benzofuran-2-yl)ethylideneamino]-2-fluorobenzamide

C19H17FN2O3 — CID 9235854

IUPACN-[(Z)-1-(7-ethoxy-1-benzofuran-2-yl)ethylideneamino]-2-fluorobenzamide
SMILESCCOc1cccc2cc(/C(C)=N\NC(=O)c3ccccc3F)oc12
InChIInChI=1S/C19H17FN2O3/c1-3-24-16-10-6-7-13-11-17(25-18(13)16)12(2)21-22-19(23)14-8-4-5-9-15(14)20/h4-11H,3H2,1-2H3,(H,22,23)/b21-12-
InChIKeyRIJGEWNSQFWZBY-MTJSOVHGSA-N
MW340.35 g/mol
LogP4.12
Rot. Bonds5

About N-[(Z)-1-(7-ethoxy-1-benzofuran-2-yl)ethylideneamino]-2-fluorobenzamide

N-[(Z)-1-(7-ethoxy-1-benzofuran-2-yl)ethylideneamino]-2-fluorobenzamide (PubChem CID 9235854) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is N-[(Z)-1-(7-ethoxy-1-benzofuran-2-yl)ethylideneamino]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[(Z)-1-(7-ethoxy-1-benzofuran-2-yl)ethylideneamino]-2-fluorobenzamide
PubChem CID9235854
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC NameN-[(Z)-1-(7-ethoxy-1-benzofuran-2-yl)ethylideneamino]-2-fluorobenzamide
SMILESCCOc1cccc2cc(/C(C)=N\NC(=O)c3ccccc3F)oc12
InChIInChI=1S/C19H17FN2O3/c1-3-24-16-10-6-7-13-11-17(25-18(13)16)12(2)21-22-19(23)14-8-4-5-9-15(14)20/h4-11H,3H2,1-2H3,(H,22,23)/b21-12-
InChIKeyRIJGEWNSQFWZBY-MTJSOVHGSA-N
XLogP4.12
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 54.12
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

(3R)-N-[(Z)-1-(7-ethoxy-1-benzofuran-2-yl)ethylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 9237726
N-[(Z)-1-(7-ethoxy-1-benzofuran-2-yl)ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 9030122
diaminomethylidene-[(Z)-1-(7-ethoxy-1-benzofuran-2-yl)ethylideneamino]azanium
CID 9057905
1-[(Z)-1-(7-ethoxy-1-benzofuran-2-yl)ethylideneamino]-3-[(2S)-1-methoxypropan-2-yl]thiourea
CID 9175726
8-ethoxy-N-(2-fluorophenyl)-2-oxochromene-3-carboxamide
CID 6460214
7-ethoxy-N-naphthalen-1-yl-1-benzofuran-2-carboxamide
CID 40888860
7-ethoxy-N-(4-methylsulfanylphenyl)-1-benzofuran-2-carboxamide
CID 40946707
N-[1-(1-benzofuran-2-yl)ethylideneamino]-2-(2-fluorophenoxy)acetamide
CID 3377466
N-[(Z)-1-(2,5-diethoxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 9212454
N-[(2-ethoxyphenyl)methylideneamino]-2-fluorobenzamide
CID 2593226
N-(2,3-dimethylphenyl)-7-ethoxy-1-benzofuran-2-carboxamide
CID 40888863
3-acetyl-8-ethoxychromen-2-one
CID 3266617

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(7-ethoxy-1-benzofuran-2-yl)ethylideneamino]-2-fluorobenzamide?
The IUPAC name of N-[(Z)-1-(7-ethoxy-1-benzofuran-2-yl)ethylideneamino]-2-fluorobenzamide (CID 9235854) is N-[(Z)-1-(7-ethoxy-1-benzofuran-2-yl)ethylideneamino]-2-fluorobenzamide.
What is the SMILES notation for N-[(Z)-1-(7-ethoxy-1-benzofuran-2-yl)ethylideneamino]-2-fluorobenzamide?
The canonical SMILES for N-[(Z)-1-(7-ethoxy-1-benzofuran-2-yl)ethylideneamino]-2-fluorobenzamide is CCOc1cccc2cc(/C(C)=N\NC(=O)c3ccccc3F)oc12.
What is the InChIKey of N-[(Z)-1-(7-ethoxy-1-benzofuran-2-yl)ethylideneamino]-2-fluorobenzamide?
The InChIKey is RIJGEWNSQFWZBY-MTJSOVHGSA-N. The full InChI is InChI=1S/C19H17FN2O3/c1-3-24-16-10-6-7-13-11-17(25-18(13)16)12(2)21-22-19(23)14-8-4-5-9-15(14)20/h4-11H,3H2,1-2H3,(H,22,23)/b21-12-.
What are the key properties of N-[(Z)-1-(7-ethoxy-1-benzofuran-2-yl)ethylideneamino]-2-fluorobenzamide?
N-[(Z)-1-(7-ethoxy-1-benzofuran-2-yl)ethylideneamino]-2-fluorobenzamide has a molecular weight of 340.35 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(7-ethoxy-1-benzofuran-2-yl)ethylideneamino]-2-fluorobenzamide is sourced from PubChem (CID 9235854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).