(E)-3-[4-(dimethylamino)phenyl]-1-[2-(4-fluorophenyl)phenyl]prop-2-en-1-one

C23H20FNO — CID 102340642

IUPAC(E)-3-[4-(dimethylamino)phenyl]-1-[2-(4-fluorophenyl)phenyl]prop-2-en-1-one
SMILESCN(C)c1ccc(/C=C/C(=O)c2ccccc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C23H20FNO/c1-25(2)20-14-7-17(8-15-20)9-16-23(26)22-6-4-3-5-21(22)18-10-12-19(24)13-11-18/h3-16H,1-2H3/b16-9+
InChIKeyAQSNUJNSJCKVIM-CXUHLZMHSA-N
MW345.42 g/mol
LogP5.45
Rot. Bonds5

About (E)-3-[4-(dimethylamino)phenyl]-1-[2-(4-fluorophenyl)phenyl]prop-2-en-1-one

(E)-3-[4-(dimethylamino)phenyl]-1-[2-(4-fluorophenyl)phenyl]prop-2-en-1-one (PubChem CID 102340642) has the molecular formula C23H20FNO and a molecular weight of 345.42 g/mol. Its IUPAC name is (E)-3-[4-(dimethylamino)phenyl]-1-[2-(4-fluorophenyl)phenyl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-[4-(dimethylamino)phenyl]-1-[2-(4-fluorophenyl)phenyl]prop-2-en-1-one
PubChem CID102340642
Molecular FormulaC23H20FNO
Molecular Weight345.42 g/mol
Exact Mass345.15
IUPAC Name(E)-3-[4-(dimethylamino)phenyl]-1-[2-(4-fluorophenyl)phenyl]prop-2-en-1-one
SMILESCN(C)c1ccc(/C=C/C(=O)c2ccccc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C23H20FNO/c1-25(2)20-14-7-17(8-15-20)9-16-23(26)22-6-4-3-5-21(22)18-10-12-19(24)13-11-18/h3-16H,1-2H3/b16-9+
InChIKeyAQSNUJNSJCKVIM-CXUHLZMHSA-N
XLogP5.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.42
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(dimethylamino)phenyl]-1-[2-(4-fluorophenyl)phenyl]prop-2-en-1-one?
The IUPAC name of (E)-3-[4-(dimethylamino)phenyl]-1-[2-(4-fluorophenyl)phenyl]prop-2-en-1-one (CID 102340642) is (E)-3-[4-(dimethylamino)phenyl]-1-[2-(4-fluorophenyl)phenyl]prop-2-en-1-one.
What is the SMILES notation for (E)-3-[4-(dimethylamino)phenyl]-1-[2-(4-fluorophenyl)phenyl]prop-2-en-1-one?
The canonical SMILES for (E)-3-[4-(dimethylamino)phenyl]-1-[2-(4-fluorophenyl)phenyl]prop-2-en-1-one is CN(C)c1ccc(/C=C/C(=O)c2ccccc2-c2ccc(F)cc2)cc1.
What is the InChIKey of (E)-3-[4-(dimethylamino)phenyl]-1-[2-(4-fluorophenyl)phenyl]prop-2-en-1-one?
The InChIKey is AQSNUJNSJCKVIM-CXUHLZMHSA-N. The full InChI is InChI=1S/C23H20FNO/c1-25(2)20-14-7-17(8-15-20)9-16-23(26)22-6-4-3-5-21(22)18-10-12-19(24)13-11-18/h3-16H,1-2H3/b16-9+.
What are the key properties of (E)-3-[4-(dimethylamino)phenyl]-1-[2-(4-fluorophenyl)phenyl]prop-2-en-1-one?
(E)-3-[4-(dimethylamino)phenyl]-1-[2-(4-fluorophenyl)phenyl]prop-2-en-1-one has a molecular weight of 345.42 g/mol, XLogP of 5.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(dimethylamino)phenyl]-1-[2-(4-fluorophenyl)phenyl]prop-2-en-1-one is sourced from PubChem (CID 102340642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).