2-(4-chlorophenyl)-3-(5-methylfuran-3-yl)-3-oxopropanenitrile

C14H10ClNO2 — CID 114820952

IUPAC2-(4-chlorophenyl)-3-(5-methylfuran-3-yl)-3-oxopropanenitrile
SMILESCc1cc(C(=O)C(C#N)c2ccc(Cl)cc2)co1
InChIInChI=1S/C14H10ClNO2/c1-9-6-11(8-18-9)14(17)13(7-16)10-2-4-12(15)5-3-10/h2-6,8,13H,1H3
InChIKeyXIAVISBTFCYNSF-UHFFFAOYSA-N
MW259.69 g/mol
LogP3.73
Rot. Bonds3

About 2-(4-chlorophenyl)-3-(5-methylfuran-3-yl)-3-oxopropanenitrile

2-(4-chlorophenyl)-3-(5-methylfuran-3-yl)-3-oxopropanenitrile (PubChem CID 114820952) has the molecular formula C14H10ClNO2 and a molecular weight of 259.69 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(5-methylfuran-3-yl)-3-oxopropanenitrile.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(5-methylfuran-3-yl)-3-oxopropanenitrile
PubChem CID114820952
Molecular FormulaC14H10ClNO2
Molecular Weight259.69 g/mol
Exact Mass259.04
IUPAC Name2-(4-chlorophenyl)-3-(5-methylfuran-3-yl)-3-oxopropanenitrile
SMILESCc1cc(C(=O)C(C#N)c2ccc(Cl)cc2)co1
InChIInChI=1S/C14H10ClNO2/c1-9-6-11(8-18-9)14(17)13(7-16)10-2-4-12(15)5-3-10/h2-6,8,13H,1H3
InChIKeyXIAVISBTFCYNSF-UHFFFAOYSA-N
XLogP3.73
TPSA54.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-chlorophenyl)-3-(5-methylfuran-3-yl)-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

2-(4-chlorophenyl)-3-(3,4-dimethylphenyl)-3-oxopropanenitrile
CID 43334171
3-(5-methylfuran-3-yl)-3-oxo-2-[3-(trifluoromethyl)phenyl]propanenitrile
CID 114820964
3-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)-3-oxopropanenitrile
CID 107988461
(2S)-2-(4-chlorophenyl)-3-oxobutanenitrile
CID 773172
2-(4-chlorophenyl)-3-(2,5-dibromophenyl)-3-oxopropanenitrile
CID 114373083
2-(4-chlorophenyl)-3-(2,3-difluorophenyl)-3-oxopropanenitrile
CID 62649429
3-(2,5-dichlorophenyl)-2-(3,4-dichlorophenyl)-3-oxopropanenitrile
CID 63525402
3-(3-chloro-4-fluorophenyl)-3-oxo-2-phenylpropanenitrile
CID 82875579
2-(3-chlorophenyl)-3-oxo-3-(4-propan-2-ylphenyl)propanenitrile
CID 43156784
3-(2,5-dimethylfuran-3-yl)-2-(4-fluorophenyl)-3-oxopropanenitrile
CID 43334213
3-(5-bromo-2-chlorophenyl)-2-(4-methylphenyl)-3-oxopropanenitrile
CID 62829977
2-(4-chlorophenyl)-3-(3-chlorothiophen-2-yl)-3-oxopropanenitrile
CID 80644227

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(5-methylfuran-3-yl)-3-oxopropanenitrile?
The IUPAC name of 2-(4-chlorophenyl)-3-(5-methylfuran-3-yl)-3-oxopropanenitrile (CID 114820952) is 2-(4-chlorophenyl)-3-(5-methylfuran-3-yl)-3-oxopropanenitrile.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(5-methylfuran-3-yl)-3-oxopropanenitrile?
The canonical SMILES for 2-(4-chlorophenyl)-3-(5-methylfuran-3-yl)-3-oxopropanenitrile is Cc1cc(C(=O)C(C#N)c2ccc(Cl)cc2)co1.
What is the InChIKey of 2-(4-chlorophenyl)-3-(5-methylfuran-3-yl)-3-oxopropanenitrile?
The InChIKey is XIAVISBTFCYNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO2/c1-9-6-11(8-18-9)14(17)13(7-16)10-2-4-12(15)5-3-10/h2-6,8,13H,1H3.
What are the key properties of 2-(4-chlorophenyl)-3-(5-methylfuran-3-yl)-3-oxopropanenitrile?
2-(4-chlorophenyl)-3-(5-methylfuran-3-yl)-3-oxopropanenitrile has a molecular weight of 259.69 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(5-methylfuran-3-yl)-3-oxopropanenitrile is sourced from PubChem (CID 114820952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).