(E)-1-(3-aminophenyl)-3-(3-fluorophenyl)prop-2-en-1-one

C15H12FNO — CID 155817916

IUPAC(E)-1-(3-aminophenyl)-3-(3-fluorophenyl)prop-2-en-1-one
SMILESNc1cccc(C(=O)/C=C/c2cccc(F)c2)c1
InChIInChI=1S/C15H12FNO/c16-13-5-1-3-11(9-13)7-8-15(18)12-4-2-6-14(17)10-12/h1-10H,17H2/b8-7+
InChIKeyBJNBJNIUSBDULR-BQYQJAHWSA-N
MW241.27 g/mol
LogP3.30
Rot. Bonds3

About (E)-1-(3-aminophenyl)-3-(3-fluorophenyl)prop-2-en-1-one

(E)-1-(3-aminophenyl)-3-(3-fluorophenyl)prop-2-en-1-one (PubChem CID 155817916) has the molecular formula C15H12FNO and a molecular weight of 241.27 g/mol. Its IUPAC name is (E)-1-(3-aminophenyl)-3-(3-fluorophenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(3-aminophenyl)-3-(3-fluorophenyl)prop-2-en-1-one
PubChem CID155817916
Molecular FormulaC15H12FNO
Molecular Weight241.27 g/mol
Exact Mass241.09
IUPAC Name(E)-1-(3-aminophenyl)-3-(3-fluorophenyl)prop-2-en-1-one
SMILESNc1cccc(C(=O)/C=C/c2cccc(F)c2)c1
InChIInChI=1S/C15H12FNO/c16-13-5-1-3-11(9-13)7-8-15(18)12-4-2-6-14(17)10-12/h1-10H,17H2/b8-7+
InChIKeyBJNBJNIUSBDULR-BQYQJAHWSA-N
XLogP3.30
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-1-(3-aminophenyl)-3-(3-fluorophenyl)prop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-1-(3-aminophenyl)-3-(3-fluorophenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(3-aminophenyl)-3-(3-fluorophenyl)prop-2-en-1-one (CID 155817916) is (E)-1-(3-aminophenyl)-3-(3-fluorophenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(3-aminophenyl)-3-(3-fluorophenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(3-aminophenyl)-3-(3-fluorophenyl)prop-2-en-1-one is Nc1cccc(C(=O)/C=C/c2cccc(F)c2)c1.
What is the InChIKey of (E)-1-(3-aminophenyl)-3-(3-fluorophenyl)prop-2-en-1-one?
The InChIKey is BJNBJNIUSBDULR-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H12FNO/c16-13-5-1-3-11(9-13)7-8-15(18)12-4-2-6-14(17)10-12/h1-10H,17H2/b8-7+.
What are the key properties of (E)-1-(3-aminophenyl)-3-(3-fluorophenyl)prop-2-en-1-one?
(E)-1-(3-aminophenyl)-3-(3-fluorophenyl)prop-2-en-1-one has a molecular weight of 241.27 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3-aminophenyl)-3-(3-fluorophenyl)prop-2-en-1-one is sourced from PubChem (CID 155817916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).