(4-fluorophenyl) N-(2-ethylphenyl)benzenecarboximidate

C21H18FNO — CID 5036625

IUPAC(4-fluorophenyl) N-(2-ethylphenyl)benzenecarboximidate
SMILESCCc1ccccc1/N=C(\Oc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C21H18FNO/c1-2-16-8-6-7-11-20(16)23-21(17-9-4-3-5-10-17)24-19-14-12-18(22)13-15-19/h3-15H,2H2,1H3/b23-21-
InChIKeyGYGZPCLGWMFQCB-LNVKXUELSA-N
MW319.38 g/mol
LogP5.55
Rot. Bonds4

About (4-fluorophenyl) N-(2-ethylphenyl)benzenecarboximidate

(4-fluorophenyl) N-(2-ethylphenyl)benzenecarboximidate (PubChem CID 5036625) has the molecular formula C21H18FNO and a molecular weight of 319.38 g/mol. Its IUPAC name is (4-fluorophenyl) N-(2-ethylphenyl)benzenecarboximidate.

Molecular Properties

Compound Name(4-fluorophenyl) N-(2-ethylphenyl)benzenecarboximidate
PubChem CID5036625
Molecular FormulaC21H18FNO
Molecular Weight319.38 g/mol
Exact Mass319.14
IUPAC Name(4-fluorophenyl) N-(2-ethylphenyl)benzenecarboximidate
SMILESCCc1ccccc1/N=C(\Oc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C21H18FNO/c1-2-16-8-6-7-11-20(16)23-21(17-9-4-3-5-10-17)24-19-14-12-18(22)13-15-19/h3-15H,2H2,1H3/b23-21-
InChIKeyGYGZPCLGWMFQCB-LNVKXUELSA-N
XLogP5.55
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.38
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze (4-fluorophenyl) N-(2-ethylphenyl)benzenecarboximidate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl) N-(2-ethylphenyl)benzenecarboximidate?
The IUPAC name of (4-fluorophenyl) N-(2-ethylphenyl)benzenecarboximidate (CID 5036625) is (4-fluorophenyl) N-(2-ethylphenyl)benzenecarboximidate.
What is the SMILES notation for (4-fluorophenyl) N-(2-ethylphenyl)benzenecarboximidate?
The canonical SMILES for (4-fluorophenyl) N-(2-ethylphenyl)benzenecarboximidate is CCc1ccccc1/N=C(\Oc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of (4-fluorophenyl) N-(2-ethylphenyl)benzenecarboximidate?
The InChIKey is GYGZPCLGWMFQCB-LNVKXUELSA-N. The full InChI is InChI=1S/C21H18FNO/c1-2-16-8-6-7-11-20(16)23-21(17-9-4-3-5-10-17)24-19-14-12-18(22)13-15-19/h3-15H,2H2,1H3/b23-21-.
What are the key properties of (4-fluorophenyl) N-(2-ethylphenyl)benzenecarboximidate?
(4-fluorophenyl) N-(2-ethylphenyl)benzenecarboximidate has a molecular weight of 319.38 g/mol, XLogP of 5.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl) N-(2-ethylphenyl)benzenecarboximidate is sourced from PubChem (CID 5036625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).