N-[(2-ethoxyphenyl)methylideneamino]-2-fluorobenzamide

C16H15FN2O2 — CID 2593226

IUPACN-[(2-ethoxyphenyl)methylideneamino]-2-fluorobenzamide
SMILESCCOc1ccccc1C=NNC(=O)c1ccccc1F
InChIInChI=1S/C16H15FN2O2/c1-2-21-15-10-6-3-7-12(15)11-18-19-16(20)13-8-4-5-9-14(13)17/h3-11H,2H2,1H3,(H,19,20)
InChIKeyWWKDGFRXDBPCJQ-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.99
Rot. Bonds5

About N-[(2-ethoxyphenyl)methylideneamino]-2-fluorobenzamide

N-[(2-ethoxyphenyl)methylideneamino]-2-fluorobenzamide (PubChem CID 2593226) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methylideneamino]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methylideneamino]-2-fluorobenzamide
PubChem CID2593226
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC NameN-[(2-ethoxyphenyl)methylideneamino]-2-fluorobenzamide
SMILESCCOc1ccccc1C=NNC(=O)c1ccccc1F
InChIInChI=1S/C16H15FN2O2/c1-2-21-15-10-6-3-7-12(15)11-18-19-16(20)13-8-4-5-9-14(13)17/h3-11H,2H2,1H3,(H,19,20)
InChIKeyWWKDGFRXDBPCJQ-UHFFFAOYSA-N
XLogP2.99
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.99
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

2-chloro-N-[(2-ethoxyphenyl)methylideneamino]benzamide
CID 904314
N-[(2-ethoxyphenyl)methylideneamino]-2-propoxybenzamide
CID 4931430
N-[(2-ethoxyphenyl)methylideneamino]-2-nitrobenzamide
CID 676026
2-fluoro-N-[(2-fluorophenyl)methylideneamino]benzamide
CID 2593233
N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-fluorobenzamide
CID 773930
N-[(2-ethoxyphenyl)methylideneamino]-3,4,5-trihydroxybenzamide
CID 4570338
N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-fluorobenzamide
CID 6907962
2-ethoxy-6-[(Z)-[(2-fluorobenzoyl)hydrazinylidene]methyl]-4-nitrophenolate
CID 7308981
methyl N-[(Z)-(2-ethoxyphenyl)methylideneamino]carbamate
CID 5417453
2-amino-N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
CID 136787439
N-[(E)-(2-ethoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 6893654
N-[(2-ethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 690991

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methylideneamino]-2-fluorobenzamide?
The IUPAC name of N-[(2-ethoxyphenyl)methylideneamino]-2-fluorobenzamide (CID 2593226) is N-[(2-ethoxyphenyl)methylideneamino]-2-fluorobenzamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methylideneamino]-2-fluorobenzamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methylideneamino]-2-fluorobenzamide is CCOc1ccccc1C=NNC(=O)c1ccccc1F.
What is the InChIKey of N-[(2-ethoxyphenyl)methylideneamino]-2-fluorobenzamide?
The InChIKey is WWKDGFRXDBPCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c1-2-21-15-10-6-3-7-12(15)11-18-19-16(20)13-8-4-5-9-14(13)17/h3-11H,2H2,1H3,(H,19,20).
What are the key properties of N-[(2-ethoxyphenyl)methylideneamino]-2-fluorobenzamide?
N-[(2-ethoxyphenyl)methylideneamino]-2-fluorobenzamide has a molecular weight of 286.31 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methylideneamino]-2-fluorobenzamide is sourced from PubChem (CID 2593226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).