[2-(4-pyridin-4-ylphenyl)ethylideneamino] N-(4-fluorophenyl)carbamate

C20H16FN3O2 — CID 87649831

IUPAC[2-(4-pyridin-4-ylphenyl)ethylideneamino] N-(4-fluorophenyl)carbamate
SMILESO=C(Nc1ccc(F)cc1)ON=CCc1ccc(-c2ccncc2)cc1
InChIInChI=1S/C20H16FN3O2/c21-18-5-7-19(8-6-18)24-20(25)26-23-14-9-15-1-3-16(4-2-15)17-10-12-22-13-11-17/h1-8,10-14H,9H2,(H,24,25)
InChIKeyQYJRUFSEPFYSSH-UHFFFAOYSA-N
MW349.37 g/mol
LogP4.66
Rot. Bonds5

About [2-(4-pyridin-4-ylphenyl)ethylideneamino] N-(4-fluorophenyl)carbamate

[2-(4-pyridin-4-ylphenyl)ethylideneamino] N-(4-fluorophenyl)carbamate (PubChem CID 87649831) has the molecular formula C20H16FN3O2 and a molecular weight of 349.37 g/mol. Its IUPAC name is [2-(4-pyridin-4-ylphenyl)ethylideneamino] N-(4-fluorophenyl)carbamate.

Molecular Properties

Compound Name[2-(4-pyridin-4-ylphenyl)ethylideneamino] N-(4-fluorophenyl)carbamate
PubChem CID87649831
Molecular FormulaC20H16FN3O2
Molecular Weight349.37 g/mol
Exact Mass349.12
IUPAC Name[2-(4-pyridin-4-ylphenyl)ethylideneamino] N-(4-fluorophenyl)carbamate
SMILESO=C(Nc1ccc(F)cc1)ON=CCc1ccc(-c2ccncc2)cc1
InChIInChI=1S/C20H16FN3O2/c21-18-5-7-19(8-6-18)24-20(25)26-23-14-9-15-1-3-16(4-2-15)17-10-12-22-13-11-17/h1-8,10-14H,9H2,(H,24,25)
InChIKeyQYJRUFSEPFYSSH-UHFFFAOYSA-N
XLogP4.66
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(4-pyridin-4-ylphenyl)ethylideneamino] N-(4-fluorophenyl)carbamate?
The IUPAC name of [2-(4-pyridin-4-ylphenyl)ethylideneamino] N-(4-fluorophenyl)carbamate (CID 87649831) is [2-(4-pyridin-4-ylphenyl)ethylideneamino] N-(4-fluorophenyl)carbamate.
What is the SMILES notation for [2-(4-pyridin-4-ylphenyl)ethylideneamino] N-(4-fluorophenyl)carbamate?
The canonical SMILES for [2-(4-pyridin-4-ylphenyl)ethylideneamino] N-(4-fluorophenyl)carbamate is O=C(Nc1ccc(F)cc1)ON=CCc1ccc(-c2ccncc2)cc1.
What is the InChIKey of [2-(4-pyridin-4-ylphenyl)ethylideneamino] N-(4-fluorophenyl)carbamate?
The InChIKey is QYJRUFSEPFYSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2/c21-18-5-7-19(8-6-18)24-20(25)26-23-14-9-15-1-3-16(4-2-15)17-10-12-22-13-11-17/h1-8,10-14H,9H2,(H,24,25).
What are the key properties of [2-(4-pyridin-4-ylphenyl)ethylideneamino] N-(4-fluorophenyl)carbamate?
[2-(4-pyridin-4-ylphenyl)ethylideneamino] N-(4-fluorophenyl)carbamate has a molecular weight of 349.37 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-pyridin-4-ylphenyl)ethylideneamino] N-(4-fluorophenyl)carbamate is sourced from PubChem (CID 87649831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).