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

C20H16FN3O2 — CID 87651192

IUPAC[2-(4-pyridin-2-ylphenyl)ethylideneamino] N-(4-fluorophenyl)carbamate
SMILESO=C(Nc1ccc(F)cc1)ON=CCc1ccc(-c2ccccn2)cc1
InChIInChI=1S/C20H16FN3O2/c21-17-8-10-18(11-9-17)24-20(25)26-23-14-12-15-4-6-16(7-5-15)19-3-1-2-13-22-19/h1-11,13-14H,12H2,(H,24,25)
InChIKeyWHEXJWRQFUVAGY-UHFFFAOYSA-N
MW349.37 g/mol
LogP4.66
Rot. Bonds5

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

[2-(4-pyridin-2-ylphenyl)ethylideneamino] N-(4-fluorophenyl)carbamate (PubChem CID 87651192) has the molecular formula C20H16FN3O2 and a molecular weight of 349.37 g/mol. Its IUPAC name is [2-(4-pyridin-2-ylphenyl)ethylideneamino] N-(4-fluorophenyl)carbamate.

Molecular Properties

Compound Name[2-(4-pyridin-2-ylphenyl)ethylideneamino] N-(4-fluorophenyl)carbamate
PubChem CID87651192
Molecular FormulaC20H16FN3O2
Molecular Weight349.37 g/mol
Exact Mass349.12
IUPAC Name[2-(4-pyridin-2-ylphenyl)ethylideneamino] N-(4-fluorophenyl)carbamate
SMILESO=C(Nc1ccc(F)cc1)ON=CCc1ccc(-c2ccccn2)cc1
InChIInChI=1S/C20H16FN3O2/c21-17-8-10-18(11-9-17)24-20(25)26-23-14-12-15-4-6-16(7-5-15)19-3-1-2-13-22-19/h1-11,13-14H,12H2,(H,24,25)
InChIKeyWHEXJWRQFUVAGY-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-2-ylphenyl)ethylideneamino] N-(4-fluorophenyl)carbamate?
The IUPAC name of [2-(4-pyridin-2-ylphenyl)ethylideneamino] N-(4-fluorophenyl)carbamate (CID 87651192) is [2-(4-pyridin-2-ylphenyl)ethylideneamino] N-(4-fluorophenyl)carbamate.
What is the SMILES notation for [2-(4-pyridin-2-ylphenyl)ethylideneamino] N-(4-fluorophenyl)carbamate?
The canonical SMILES for [2-(4-pyridin-2-ylphenyl)ethylideneamino] N-(4-fluorophenyl)carbamate is O=C(Nc1ccc(F)cc1)ON=CCc1ccc(-c2ccccn2)cc1.
What is the InChIKey of [2-(4-pyridin-2-ylphenyl)ethylideneamino] N-(4-fluorophenyl)carbamate?
The InChIKey is WHEXJWRQFUVAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2/c21-17-8-10-18(11-9-17)24-20(25)26-23-14-12-15-4-6-16(7-5-15)19-3-1-2-13-22-19/h1-11,13-14H,12H2,(H,24,25).
What are the key properties of [2-(4-pyridin-2-ylphenyl)ethylideneamino] N-(4-fluorophenyl)carbamate?
[2-(4-pyridin-2-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-2-ylphenyl)ethylideneamino] N-(4-fluorophenyl)carbamate is sourced from PubChem (CID 87651192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).