[1-(4-pyridin-4-ylphenyl)ethylideneamino] N-(4-fluorophenyl)carbamate

C20H16FN3O2 — CID 75033556

IUPAC[1-(4-pyridin-4-ylphenyl)ethylideneamino] N-(4-fluorophenyl)carbamate
SMILESCC(=NOC(=O)Nc1ccc(F)cc1)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C20H16FN3O2/c1-14(24-26-20(25)23-19-8-6-18(21)7-9-19)15-2-4-16(5-3-15)17-10-12-22-13-11-17/h2-13H,1H3,(H,23,25)
InChIKeyDSUOKOSNEKNCLU-UHFFFAOYSA-N
MW349.37 g/mol
LogP4.86
Rot. Bonds4

About [1-(4-pyridin-4-ylphenyl)ethylideneamino] N-(4-fluorophenyl)carbamate

[1-(4-pyridin-4-ylphenyl)ethylideneamino] N-(4-fluorophenyl)carbamate (PubChem CID 75033556) has the molecular formula C20H16FN3O2 and a molecular weight of 349.37 g/mol. Its IUPAC name is [1-(4-pyridin-4-ylphenyl)ethylideneamino] N-(4-fluorophenyl)carbamate.

Molecular Properties

Compound Name[1-(4-pyridin-4-ylphenyl)ethylideneamino] N-(4-fluorophenyl)carbamate
PubChem CID75033556
Molecular FormulaC20H16FN3O2
Molecular Weight349.37 g/mol
Exact Mass349.12
IUPAC Name[1-(4-pyridin-4-ylphenyl)ethylideneamino] N-(4-fluorophenyl)carbamate
SMILESCC(=NOC(=O)Nc1ccc(F)cc1)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C20H16FN3O2/c1-14(24-26-20(25)23-19-8-6-18(21)7-9-19)15-2-4-16(5-3-15)17-10-12-22-13-11-17/h2-13H,1H3,(H,23,25)
InChIKeyDSUOKOSNEKNCLU-UHFFFAOYSA-N
XLogP4.86
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 54.86
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 [1-(4-pyridin-4-ylphenyl)ethylideneamino] N-(4-fluorophenyl)carbamate?
The IUPAC name of [1-(4-pyridin-4-ylphenyl)ethylideneamino] N-(4-fluorophenyl)carbamate (CID 75033556) is [1-(4-pyridin-4-ylphenyl)ethylideneamino] N-(4-fluorophenyl)carbamate.
What is the SMILES notation for [1-(4-pyridin-4-ylphenyl)ethylideneamino] N-(4-fluorophenyl)carbamate?
The canonical SMILES for [1-(4-pyridin-4-ylphenyl)ethylideneamino] N-(4-fluorophenyl)carbamate is CC(=NOC(=O)Nc1ccc(F)cc1)c1ccc(-c2ccncc2)cc1.
What is the InChIKey of [1-(4-pyridin-4-ylphenyl)ethylideneamino] N-(4-fluorophenyl)carbamate?
The InChIKey is DSUOKOSNEKNCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2/c1-14(24-26-20(25)23-19-8-6-18(21)7-9-19)15-2-4-16(5-3-15)17-10-12-22-13-11-17/h2-13H,1H3,(H,23,25).
What are the key properties of [1-(4-pyridin-4-ylphenyl)ethylideneamino] N-(4-fluorophenyl)carbamate?
[1-(4-pyridin-4-ylphenyl)ethylideneamino] N-(4-fluorophenyl)carbamate has a molecular weight of 349.37 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-pyridin-4-ylphenyl)ethylideneamino] N-(4-fluorophenyl)carbamate is sourced from PubChem (CID 75033556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).