3-(5-chloro-2-hydroxyanilino)-1-(4-fluorophenyl)prop-2-en-1-one

C15H11ClFNO2 — CID 876362

IUPAC3-(5-chloro-2-hydroxyanilino)-1-(4-fluorophenyl)prop-2-en-1-one
SMILESO=C(C=CNc1cc(Cl)ccc1O)c1ccc(F)cc1
InChIInChI=1S/C15H11ClFNO2/c16-11-3-6-15(20)13(9-11)18-8-7-14(19)10-1-4-12(17)5-2-10/h1-9,18,20H
InChIKeyWGAUFRDFFWTYMF-UHFFFAOYSA-N
MW291.71 g/mol
LogP3.99
Rot. Bonds4

About 3-(5-chloro-2-hydroxyanilino)-1-(4-fluorophenyl)prop-2-en-1-one

3-(5-chloro-2-hydroxyanilino)-1-(4-fluorophenyl)prop-2-en-1-one (PubChem CID 876362) has the molecular formula C15H11ClFNO2 and a molecular weight of 291.71 g/mol. Its IUPAC name is 3-(5-chloro-2-hydroxyanilino)-1-(4-fluorophenyl)prop-2-en-1-one.

Molecular Properties

Compound Name3-(5-chloro-2-hydroxyanilino)-1-(4-fluorophenyl)prop-2-en-1-one
PubChem CID876362
Molecular FormulaC15H11ClFNO2
Molecular Weight291.71 g/mol
Exact Mass291.05
IUPAC Name3-(5-chloro-2-hydroxyanilino)-1-(4-fluorophenyl)prop-2-en-1-one
SMILESO=C(C=CNc1cc(Cl)ccc1O)c1ccc(F)cc1
InChIInChI=1S/C15H11ClFNO2/c16-11-3-6-15(20)13(9-11)18-8-7-14(19)10-1-4-12(17)5-2-10/h1-9,18,20H
InChIKeyWGAUFRDFFWTYMF-UHFFFAOYSA-N
XLogP3.99
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.71
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(5-chloro-2-hydroxyanilino)-1-(4-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

Related Compounds

(Z)-3-(2-benzoyl-5-chloroanilino)-1-(4-fluorophenyl)prop-2-en-1-one
CID 6106521
(Z)-3-(2,4-difluoroanilino)-1-(4-fluorophenyl)prop-2-en-1-one
CID 18527574
3-(4-chloro-2-hydroxyanilino)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 870858
1-(4-bromophenyl)-3-(2,4-difluoroanilino)prop-2-en-1-one
CID 818382
3-(5-chloro-2-methylanilino)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 799053
1-(2,4-dichlorophenyl)-3-(2-hydroxy-5-methylanilino)prop-2-en-1-one
CID 889011
(E)-1-(2,4-dichlorophenyl)-3-(4-fluoroanilino)prop-2-en-1-one
CID 6035639
(E)-3-(2,3-dimethylanilino)-1-(4-fluorophenyl)prop-2-en-1-one
CID 19581250
(Z)-3-(2,4-dichloroanilino)-1-(4-ethylphenyl)prop-2-en-1-one
CID 18528061
3-(5-chloro-2-methoxyanilino)-1-(4-phenylphenyl)prop-2-en-1-one
CID 5146329
(E)-3-(4-chloro-2-methylanilino)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 6188155
N-(5-chloro-2-fluorophenyl)-4-fluorobenzamide
CID 2664585

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-hydroxyanilino)-1-(4-fluorophenyl)prop-2-en-1-one?
The IUPAC name of 3-(5-chloro-2-hydroxyanilino)-1-(4-fluorophenyl)prop-2-en-1-one (CID 876362) is 3-(5-chloro-2-hydroxyanilino)-1-(4-fluorophenyl)prop-2-en-1-one.
What is the SMILES notation for 3-(5-chloro-2-hydroxyanilino)-1-(4-fluorophenyl)prop-2-en-1-one?
The canonical SMILES for 3-(5-chloro-2-hydroxyanilino)-1-(4-fluorophenyl)prop-2-en-1-one is O=C(C=CNc1cc(Cl)ccc1O)c1ccc(F)cc1.
What is the InChIKey of 3-(5-chloro-2-hydroxyanilino)-1-(4-fluorophenyl)prop-2-en-1-one?
The InChIKey is WGAUFRDFFWTYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNO2/c16-11-3-6-15(20)13(9-11)18-8-7-14(19)10-1-4-12(17)5-2-10/h1-9,18,20H.
What are the key properties of 3-(5-chloro-2-hydroxyanilino)-1-(4-fluorophenyl)prop-2-en-1-one?
3-(5-chloro-2-hydroxyanilino)-1-(4-fluorophenyl)prop-2-en-1-one has a molecular weight of 291.71 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-hydroxyanilino)-1-(4-fluorophenyl)prop-2-en-1-one is sourced from PubChem (CID 876362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).