3-(4-fluorophenyl)-N-[3-(4-fluorophenyl)prop-2-enoyl]-N-pyridin-2-ylprop-2-enamide

C23H16F2N2O2 — CID 4513066

IUPAC3-(4-fluorophenyl)-N-[3-(4-fluorophenyl)prop-2-enoyl]-N-pyridin-2-ylprop-2-enamide
SMILESO=C(C=Cc1ccc(F)cc1)N(C(=O)C=Cc1ccc(F)cc1)c1ccccn1
InChIInChI=1S/C23H16F2N2O2/c24-19-10-4-17(5-11-19)8-14-22(28)27(21-3-1-2-16-26-21)23(29)15-9-18-6-12-20(25)13-7-18/h1-16H
InChIKeyKPWUPPHBJRPRDA-UHFFFAOYSA-N
MW390.39 g/mol
LogP4.65
Rot. Bonds5

About 3-(4-fluorophenyl)-N-[3-(4-fluorophenyl)prop-2-enoyl]-N-pyridin-2-ylprop-2-enamide

3-(4-fluorophenyl)-N-[3-(4-fluorophenyl)prop-2-enoyl]-N-pyridin-2-ylprop-2-enamide (PubChem CID 4513066) has the molecular formula C23H16F2N2O2 and a molecular weight of 390.39 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[3-(4-fluorophenyl)prop-2-enoyl]-N-pyridin-2-ylprop-2-enamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[3-(4-fluorophenyl)prop-2-enoyl]-N-pyridin-2-ylprop-2-enamide
PubChem CID4513066
Molecular FormulaC23H16F2N2O2
Molecular Weight390.39 g/mol
Exact Mass390.12
IUPAC Name3-(4-fluorophenyl)-N-[3-(4-fluorophenyl)prop-2-enoyl]-N-pyridin-2-ylprop-2-enamide
SMILESO=C(C=Cc1ccc(F)cc1)N(C(=O)C=Cc1ccc(F)cc1)c1ccccn1
InChIInChI=1S/C23H16F2N2O2/c24-19-10-4-17(5-11-19)8-14-22(28)27(21-3-1-2-16-26-21)23(29)15-9-18-6-12-20(25)13-7-18/h1-16H
InChIKeyKPWUPPHBJRPRDA-UHFFFAOYSA-N
XLogP4.65
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[3-(4-fluorophenyl)prop-2-enoyl]-N-pyridin-2-ylprop-2-enamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[3-(4-fluorophenyl)prop-2-enoyl]-N-pyridin-2-ylprop-2-enamide (CID 4513066) is 3-(4-fluorophenyl)-N-[3-(4-fluorophenyl)prop-2-enoyl]-N-pyridin-2-ylprop-2-enamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[3-(4-fluorophenyl)prop-2-enoyl]-N-pyridin-2-ylprop-2-enamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[3-(4-fluorophenyl)prop-2-enoyl]-N-pyridin-2-ylprop-2-enamide is O=C(C=Cc1ccc(F)cc1)N(C(=O)C=Cc1ccc(F)cc1)c1ccccn1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[3-(4-fluorophenyl)prop-2-enoyl]-N-pyridin-2-ylprop-2-enamide?
The InChIKey is KPWUPPHBJRPRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F2N2O2/c24-19-10-4-17(5-11-19)8-14-22(28)27(21-3-1-2-16-26-21)23(29)15-9-18-6-12-20(25)13-7-18/h1-16H.
What are the key properties of 3-(4-fluorophenyl)-N-[3-(4-fluorophenyl)prop-2-enoyl]-N-pyridin-2-ylprop-2-enamide?
3-(4-fluorophenyl)-N-[3-(4-fluorophenyl)prop-2-enoyl]-N-pyridin-2-ylprop-2-enamide has a molecular weight of 390.39 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[3-(4-fluorophenyl)prop-2-enoyl]-N-pyridin-2-ylprop-2-enamide is sourced from PubChem (CID 4513066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).