3-(3-chloro-4-methylthiophen-2-yl)-2-(4-fluorophenyl)-3-oxopropanenitrile

C14H9ClFNOS — CID 103402018

IUPAC3-(3-chloro-4-methylthiophen-2-yl)-2-(4-fluorophenyl)-3-oxopropanenitrile
SMILESCc1csc(C(=O)C(C#N)c2ccc(F)cc2)c1Cl
InChIInChI=1S/C14H9ClFNOS/c1-8-7-19-14(12(8)15)13(18)11(6-17)9-2-4-10(16)5-3-9/h2-5,7,11H,1H3
InChIKeyVVNJFEWRELDBFX-UHFFFAOYSA-N
MW293.75 g/mol
LogP4.34
Rot. Bonds3

About 3-(3-chloro-4-methylthiophen-2-yl)-2-(4-fluorophenyl)-3-oxopropanenitrile

3-(3-chloro-4-methylthiophen-2-yl)-2-(4-fluorophenyl)-3-oxopropanenitrile (PubChem CID 103402018) has the molecular formula C14H9ClFNOS and a molecular weight of 293.75 g/mol. Its IUPAC name is 3-(3-chloro-4-methylthiophen-2-yl)-2-(4-fluorophenyl)-3-oxopropanenitrile.

Molecular Properties

Compound Name3-(3-chloro-4-methylthiophen-2-yl)-2-(4-fluorophenyl)-3-oxopropanenitrile
PubChem CID103402018
Molecular FormulaC14H9ClFNOS
Molecular Weight293.75 g/mol
Exact Mass293.01
IUPAC Name3-(3-chloro-4-methylthiophen-2-yl)-2-(4-fluorophenyl)-3-oxopropanenitrile
SMILESCc1csc(C(=O)C(C#N)c2ccc(F)cc2)c1Cl
InChIInChI=1S/C14H9ClFNOS/c1-8-7-19-14(12(8)15)13(18)11(6-17)9-2-4-10(16)5-3-9/h2-5,7,11H,1H3
InChIKeyVVNJFEWRELDBFX-UHFFFAOYSA-N
XLogP4.34
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(3-chloro-4-methylthiophen-2-yl)-2-(4-fluorophenyl)-3-oxopropanenitrile 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-(4,5-dimethylthiophen-2-yl)-2-(4-fluorophenyl)-3-oxopropanenitrile
CID 65239105
1-(3-chloro-4-methylthiophen-2-yl)-2-methylpropan-1-one
CID 103407395
3-(2,6-difluoro-3-methylphenyl)-2-(4-fluorophenyl)-3-oxopropanenitrile
CID 82798200
2-(4-chlorophenyl)-3-(3-chlorothiophen-2-yl)-3-oxopropanenitrile
CID 80644227
3-(2-chlorophenyl)-2-(4-fluorophenyl)-3-oxopropanenitrile
CID 43334244
2-(4-fluorophenyl)-3-(5-iodothiophen-3-yl)-3-oxopropanenitrile
CID 79693426
3-chloro-N-(2-cyano-4-fluorophenyl)-4-methylthiophene-2-carboxamide
CID 103401716
3-chloro-N-(1-cyanoethyl)-4-methylthiophene-2-carboxamide
CID 103401616
3-(3-chlorothiophen-2-yl)-2-(3-fluorophenyl)-3-oxopropanenitrile
CID 80644228
3-(2-bromo-3-methylphenyl)-2-(4-fluorophenyl)-3-oxopropanenitrile
CID 107982674
2-(4-fluorophenyl)-3-oxo-3-phenylpropanenitrile
CID 43334212
2-(2-chloro-6-fluorophenyl)-3-(3-methylthiophen-2-yl)-3-oxopropanenitrile
CID 43334060

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methylthiophen-2-yl)-2-(4-fluorophenyl)-3-oxopropanenitrile?
The IUPAC name of 3-(3-chloro-4-methylthiophen-2-yl)-2-(4-fluorophenyl)-3-oxopropanenitrile (CID 103402018) is 3-(3-chloro-4-methylthiophen-2-yl)-2-(4-fluorophenyl)-3-oxopropanenitrile.
What is the SMILES notation for 3-(3-chloro-4-methylthiophen-2-yl)-2-(4-fluorophenyl)-3-oxopropanenitrile?
The canonical SMILES for 3-(3-chloro-4-methylthiophen-2-yl)-2-(4-fluorophenyl)-3-oxopropanenitrile is Cc1csc(C(=O)C(C#N)c2ccc(F)cc2)c1Cl.
What is the InChIKey of 3-(3-chloro-4-methylthiophen-2-yl)-2-(4-fluorophenyl)-3-oxopropanenitrile?
The InChIKey is VVNJFEWRELDBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFNOS/c1-8-7-19-14(12(8)15)13(18)11(6-17)9-2-4-10(16)5-3-9/h2-5,7,11H,1H3.
What are the key properties of 3-(3-chloro-4-methylthiophen-2-yl)-2-(4-fluorophenyl)-3-oxopropanenitrile?
3-(3-chloro-4-methylthiophen-2-yl)-2-(4-fluorophenyl)-3-oxopropanenitrile has a molecular weight of 293.75 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methylthiophen-2-yl)-2-(4-fluorophenyl)-3-oxopropanenitrile is sourced from PubChem (CID 103402018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).