(E)-3-(4-fluorophenyl)-N-[3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-2,2-dimethylpropyl]prop-2-enamide

C23H24F2N2O2 — CID 2167057

IUPAC(E)-3-(4-fluorophenyl)-N-[3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-2,2-dimethylpropyl]prop-2-enamide
SMILESCC(C)(CNC(=O)/C=C/c1ccc(F)cc1)CNC(=O)/C=C/c1ccc(F)cc1
InChIInChI=1S/C23H24F2N2O2/c1-23(2,15-26-21(28)13-7-17-3-9-19(24)10-4-17)16-27-22(29)14-8-18-5-11-20(25)12-6-18/h3-14H,15-16H2,1-2H3,(H,26,28)(H,27,29)/b13-7+,14-8+
InChIKeyBXUKXHLSJCDWAG-FNCQTZNRSA-N
MW398.45 g/mol
LogP3.95
Rot. Bonds8

About (E)-3-(4-fluorophenyl)-N-[3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-2,2-dimethylpropyl]prop-2-enamide

(E)-3-(4-fluorophenyl)-N-[3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-2,2-dimethylpropyl]prop-2-enamide (PubChem CID 2167057) has the molecular formula C23H24F2N2O2 and a molecular weight of 398.45 g/mol. Its IUPAC name is (E)-3-(4-fluorophenyl)-N-[3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-2,2-dimethylpropyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-fluorophenyl)-N-[3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-2,2-dimethylpropyl]prop-2-enamide
PubChem CID2167057
Molecular FormulaC23H24F2N2O2
Molecular Weight398.45 g/mol
Exact Mass398.18
IUPAC Name(E)-3-(4-fluorophenyl)-N-[3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-2,2-dimethylpropyl]prop-2-enamide
SMILESCC(C)(CNC(=O)/C=C/c1ccc(F)cc1)CNC(=O)/C=C/c1ccc(F)cc1
InChIInChI=1S/C23H24F2N2O2/c1-23(2,15-26-21(28)13-7-17-3-9-19(24)10-4-17)16-27-22(29)14-8-18-5-11-20(25)12-6-18/h3-14H,15-16H2,1-2H3,(H,26,28)(H,27,29)/b13-7+,14-8+
InChIKeyBXUKXHLSJCDWAG-FNCQTZNRSA-N
XLogP3.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.45
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (E)-3-(4-fluorophenyl)-N-[3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-2,2-dimethylpropyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-fluorophenyl)-N-[3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-2,2-dimethylpropyl]prop-2-enamide (CID 2167057) is (E)-3-(4-fluorophenyl)-N-[3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-2,2-dimethylpropyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-fluorophenyl)-N-[3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-2,2-dimethylpropyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-fluorophenyl)-N-[3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-2,2-dimethylpropyl]prop-2-enamide is CC(C)(CNC(=O)/C=C/c1ccc(F)cc1)CNC(=O)/C=C/c1ccc(F)cc1.
What is the InChIKey of (E)-3-(4-fluorophenyl)-N-[3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-2,2-dimethylpropyl]prop-2-enamide?
The InChIKey is BXUKXHLSJCDWAG-FNCQTZNRSA-N. The full InChI is InChI=1S/C23H24F2N2O2/c1-23(2,15-26-21(28)13-7-17-3-9-19(24)10-4-17)16-27-22(29)14-8-18-5-11-20(25)12-6-18/h3-14H,15-16H2,1-2H3,(H,26,28)(H,27,29)/b13-7+,14-8+.
What are the key properties of (E)-3-(4-fluorophenyl)-N-[3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-2,2-dimethylpropyl]prop-2-enamide?
(E)-3-(4-fluorophenyl)-N-[3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-2,2-dimethylpropyl]prop-2-enamide has a molecular weight of 398.45 g/mol, XLogP of 3.95, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-fluorophenyl)-N-[3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-2,2-dimethylpropyl]prop-2-enamide is sourced from PubChem (CID 2167057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).