3-[5-(2,3-dichlorophenyl)furan-2-yl]-1-(4-fluorophenyl)prop-2-en-1-one

C19H11Cl2FO2 — CID 3124816

IUPAC3-[5-(2,3-dichlorophenyl)furan-2-yl]-1-(4-fluorophenyl)prop-2-en-1-one
SMILESO=C(C=Cc1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc(F)cc1
InChIInChI=1S/C19H11Cl2FO2/c20-16-3-1-2-15(19(16)21)18-11-9-14(24-18)8-10-17(23)12-4-6-13(22)7-5-12/h1-11H
InChIKeyMMDLFMTUOJVFTA-UHFFFAOYSA-N
MW361.20 g/mol
LogP6.29
Rot. Bonds4

About 3-[5-(2,3-dichlorophenyl)furan-2-yl]-1-(4-fluorophenyl)prop-2-en-1-one

3-[5-(2,3-dichlorophenyl)furan-2-yl]-1-(4-fluorophenyl)prop-2-en-1-one (PubChem CID 3124816) has the molecular formula C19H11Cl2FO2 and a molecular weight of 361.20 g/mol. Its IUPAC name is 3-[5-(2,3-dichlorophenyl)furan-2-yl]-1-(4-fluorophenyl)prop-2-en-1-one.

Molecular Properties

Compound Name3-[5-(2,3-dichlorophenyl)furan-2-yl]-1-(4-fluorophenyl)prop-2-en-1-one
PubChem CID3124816
Molecular FormulaC19H11Cl2FO2
Molecular Weight361.20 g/mol
Exact Mass360.01
IUPAC Name3-[5-(2,3-dichlorophenyl)furan-2-yl]-1-(4-fluorophenyl)prop-2-en-1-one
SMILESO=C(C=Cc1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc(F)cc1
InChIInChI=1S/C19H11Cl2FO2/c20-16-3-1-2-15(19(16)21)18-11-9-14(24-18)8-10-17(23)12-4-6-13(22)7-5-12/h1-11H
InChIKeyMMDLFMTUOJVFTA-UHFFFAOYSA-N
XLogP6.29
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.20
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[5-(2,3-dichlorophenyl)furan-2-yl]-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

3-[5-(2,3-dichlorophenyl)furan-2-yl]-1-naphthalen-2-ylprop-2-en-1-one
CID 4022305
(Z)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 94034259
4-[5-[3-[5-(2,3-dichlorophenyl)furan-2-yl]-3-oxoprop-1-enyl]furan-2-yl]benzoic acid
CID 4710043
1-(4-chlorophenyl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-en-1-one
CID 2873345
(E)-N-carbamothioyl-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 132591100
1-[5-(2,3-dichlorophenyl)furan-2-yl]-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-en-1-one
CID 3444153
(E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-1-(2,4-dimethoxyphenyl)prop-2-en-1-one
CID 6281613
3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]prop-2-enamide
CID 3877808
3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(pyrrolidine-1-carbothioyl)prop-2-enamide
CID 3507107
3-[5-(2,3-dichlorophenyl)furan-2-yl]-2-(4-fluorophenyl)sulfonylprop-2-enenitrile
CID 3989383
(Z)-3-[5-(2,5-dichlorophenyl)furan-2-yl]-1-phenylprop-2-en-1-one
CID 5342442
N-(2,5-dichlorophenyl)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 3673672

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,3-dichlorophenyl)furan-2-yl]-1-(4-fluorophenyl)prop-2-en-1-one?
The IUPAC name of 3-[5-(2,3-dichlorophenyl)furan-2-yl]-1-(4-fluorophenyl)prop-2-en-1-one (CID 3124816) is 3-[5-(2,3-dichlorophenyl)furan-2-yl]-1-(4-fluorophenyl)prop-2-en-1-one.
What is the SMILES notation for 3-[5-(2,3-dichlorophenyl)furan-2-yl]-1-(4-fluorophenyl)prop-2-en-1-one?
The canonical SMILES for 3-[5-(2,3-dichlorophenyl)furan-2-yl]-1-(4-fluorophenyl)prop-2-en-1-one is O=C(C=Cc1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc(F)cc1.
What is the InChIKey of 3-[5-(2,3-dichlorophenyl)furan-2-yl]-1-(4-fluorophenyl)prop-2-en-1-one?
The InChIKey is MMDLFMTUOJVFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl2FO2/c20-16-3-1-2-15(19(16)21)18-11-9-14(24-18)8-10-17(23)12-4-6-13(22)7-5-12/h1-11H.
What are the key properties of 3-[5-(2,3-dichlorophenyl)furan-2-yl]-1-(4-fluorophenyl)prop-2-en-1-one?
3-[5-(2,3-dichlorophenyl)furan-2-yl]-1-(4-fluorophenyl)prop-2-en-1-one has a molecular weight of 361.20 g/mol, XLogP of 6.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,3-dichlorophenyl)furan-2-yl]-1-(4-fluorophenyl)prop-2-en-1-one is sourced from PubChem (CID 3124816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).