3-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)-3-oxopropanenitrile

C15H7Cl2F2NO — CID 64559524

IUPAC3-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)-3-oxopropanenitrile
SMILESN#CC(C(=O)c1c(Cl)cccc1Cl)c1ccc(F)cc1F
InChIInChI=1S/C15H7Cl2F2NO/c16-11-2-1-3-12(17)14(11)15(21)10(7-20)9-5-4-8(18)6-13(9)19/h1-6,10H
InChIKeyPFTUKRUQBLXAPC-UHFFFAOYSA-N
MW326.13 g/mol
LogP4.76
Rot. Bonds3

About 3-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)-3-oxopropanenitrile

3-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)-3-oxopropanenitrile (PubChem CID 64559524) has the molecular formula C15H7Cl2F2NO and a molecular weight of 326.13 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)-3-oxopropanenitrile.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)-3-oxopropanenitrile
PubChem CID64559524
Molecular FormulaC15H7Cl2F2NO
Molecular Weight326.13 g/mol
Exact Mass324.99
IUPAC Name3-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)-3-oxopropanenitrile
SMILESN#CC(C(=O)c1c(Cl)cccc1Cl)c1ccc(F)cc1F
InChIInChI=1S/C15H7Cl2F2NO/c16-11-2-1-3-12(17)14(11)15(21)10(7-20)9-5-4-8(18)6-13(9)19/h1-6,10H
InChIKeyPFTUKRUQBLXAPC-UHFFFAOYSA-N
XLogP4.76
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.13
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)-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-(2,3-dichlorophenyl)-2-(2,4-difluorophenyl)-3-oxopropanenitrile
CID 64560290
2-(2,4-difluorophenyl)-3-(4-fluorophenyl)-3-oxopropanenitrile
CID 64560102
3-(2-chloro-6-fluorophenyl)-2-(3,5-difluorophenyl)-3-oxopropanenitrile
CID 61496663
3-(5-chlorothiophen-2-yl)-2-(2,4-difluorophenyl)-3-oxopropanenitrile
CID 64558760
2-(2,4-difluorophenyl)-3-(3-methylphenyl)-3-oxopropanenitrile
CID 64559333
3-(3-bromo-5-chlorophenyl)-2-(2,4-difluorophenyl)-3-oxopropanenitrile
CID 107956540
2-(3-bromophenyl)-3-(2,6-dichlorophenyl)-3-oxopropanenitrile
CID 43560768
2-(2,4-difluorophenyl)-3-(2,5-dimethylphenyl)-3-oxopropanenitrile
CID 64561068
2-(2,4-difluorophenyl)-3-(furan-3-yl)-3-oxopropanenitrile
CID 64561063
2-(2,4-difluorophenyl)-3-(4-fluoro-3-methylphenyl)-3-oxopropanenitrile
CID 64560875
3-(3-bromo-5-fluorophenyl)-2-(2,4-difluorophenyl)-3-oxopropanenitrile
CID 64560683
2-(2-chloro-4-fluorophenyl)-3-(3-methylphenyl)-3-oxopropanenitrile
CID 63037593

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)-3-oxopropanenitrile?
The IUPAC name of 3-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)-3-oxopropanenitrile (CID 64559524) is 3-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)-3-oxopropanenitrile.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)-3-oxopropanenitrile?
The canonical SMILES for 3-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)-3-oxopropanenitrile is N#CC(C(=O)c1c(Cl)cccc1Cl)c1ccc(F)cc1F.
What is the InChIKey of 3-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)-3-oxopropanenitrile?
The InChIKey is PFTUKRUQBLXAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7Cl2F2NO/c16-11-2-1-3-12(17)14(11)15(21)10(7-20)9-5-4-8(18)6-13(9)19/h1-6,10H.
What are the key properties of 3-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)-3-oxopropanenitrile?
3-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)-3-oxopropanenitrile has a molecular weight of 326.13 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)-3-oxopropanenitrile is sourced from PubChem (CID 64559524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).