N-naphthalen-2-yl-3-phenyl-2-[(4,4,4-trifluoro-3-oxobut-1-enyl)amino]propanamide

C23H19F3N2O2 — CID 4509851

IUPACN-naphthalen-2-yl-3-phenyl-2-[(4,4,4-trifluoro-3-oxobut-1-enyl)amino]propanamide
SMILESO=C(Nc1ccc2ccccc2c1)C(Cc1ccccc1)NC=CC(=O)C(F)(F)F
InChIInChI=1S/C23H19F3N2O2/c24-23(25,26)21(29)12-13-27-20(14-16-6-2-1-3-7-16)22(30)28-19-11-10-17-8-4-5-9-18(17)15-19/h1-13,15,20,27H,14H2,(H,28,30)
InChIKeyHJLNOIQLQHYQFK-UHFFFAOYSA-N
MW412.41 g/mol
LogP4.62
Rot. Bonds7

About N-naphthalen-2-yl-3-phenyl-2-[(4,4,4-trifluoro-3-oxobut-1-enyl)amino]propanamide

N-naphthalen-2-yl-3-phenyl-2-[(4,4,4-trifluoro-3-oxobut-1-enyl)amino]propanamide (PubChem CID 4509851) has the molecular formula C23H19F3N2O2 and a molecular weight of 412.41 g/mol. Its IUPAC name is N-naphthalen-2-yl-3-phenyl-2-[(4,4,4-trifluoro-3-oxobut-1-enyl)amino]propanamide.

Molecular Properties

Compound NameN-naphthalen-2-yl-3-phenyl-2-[(4,4,4-trifluoro-3-oxobut-1-enyl)amino]propanamide
PubChem CID4509851
Molecular FormulaC23H19F3N2O2
Molecular Weight412.41 g/mol
Exact Mass412.14
IUPAC NameN-naphthalen-2-yl-3-phenyl-2-[(4,4,4-trifluoro-3-oxobut-1-enyl)amino]propanamide
SMILESO=C(Nc1ccc2ccccc2c1)C(Cc1ccccc1)NC=CC(=O)C(F)(F)F
InChIInChI=1S/C23H19F3N2O2/c24-23(25,26)21(29)12-13-27-20(14-16-6-2-1-3-7-16)22(30)28-19-11-10-17-8-4-5-9-18(17)15-19/h1-13,15,20,27H,14H2,(H,28,30)
InChIKeyHJLNOIQLQHYQFK-UHFFFAOYSA-N
XLogP4.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.41
LogP ≤ 54.62
H-Bond Donors ≤ 52
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 N-naphthalen-2-yl-3-phenyl-2-[(4,4,4-trifluoro-3-oxobut-1-enyl)amino]propanamide?
The IUPAC name of N-naphthalen-2-yl-3-phenyl-2-[(4,4,4-trifluoro-3-oxobut-1-enyl)amino]propanamide (CID 4509851) is N-naphthalen-2-yl-3-phenyl-2-[(4,4,4-trifluoro-3-oxobut-1-enyl)amino]propanamide.
What is the SMILES notation for N-naphthalen-2-yl-3-phenyl-2-[(4,4,4-trifluoro-3-oxobut-1-enyl)amino]propanamide?
The canonical SMILES for N-naphthalen-2-yl-3-phenyl-2-[(4,4,4-trifluoro-3-oxobut-1-enyl)amino]propanamide is O=C(Nc1ccc2ccccc2c1)C(Cc1ccccc1)NC=CC(=O)C(F)(F)F.
What is the InChIKey of N-naphthalen-2-yl-3-phenyl-2-[(4,4,4-trifluoro-3-oxobut-1-enyl)amino]propanamide?
The InChIKey is HJLNOIQLQHYQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O2/c24-23(25,26)21(29)12-13-27-20(14-16-6-2-1-3-7-16)22(30)28-19-11-10-17-8-4-5-9-18(17)15-19/h1-13,15,20,27H,14H2,(H,28,30).
What are the key properties of N-naphthalen-2-yl-3-phenyl-2-[(4,4,4-trifluoro-3-oxobut-1-enyl)amino]propanamide?
N-naphthalen-2-yl-3-phenyl-2-[(4,4,4-trifluoro-3-oxobut-1-enyl)amino]propanamide has a molecular weight of 412.41 g/mol, XLogP of 4.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-3-phenyl-2-[(4,4,4-trifluoro-3-oxobut-1-enyl)amino]propanamide is sourced from PubChem (CID 4509851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).