4-chloro-2-[2-(3-chlorophenyl)-2-oxoethoxy]benzonitrile

C15H9Cl2NO2 — CID 114323790

IUPAC4-chloro-2-[2-(3-chlorophenyl)-2-oxoethoxy]benzonitrile
SMILESN#Cc1ccc(Cl)cc1OCC(=O)c1cccc(Cl)c1
InChIInChI=1S/C15H9Cl2NO2/c16-12-3-1-2-10(6-12)14(19)9-20-15-7-13(17)5-4-11(15)8-18/h1-7H,9H2
InChIKeyVMXUJEJKGBHXNC-UHFFFAOYSA-N
MW306.15 g/mol
LogP4.13
Rot. Bonds4

About 4-chloro-2-[2-(3-chlorophenyl)-2-oxoethoxy]benzonitrile

4-chloro-2-[2-(3-chlorophenyl)-2-oxoethoxy]benzonitrile (PubChem CID 114323790) has the molecular formula C15H9Cl2NO2 and a molecular weight of 306.15 g/mol. Its IUPAC name is 4-chloro-2-[2-(3-chlorophenyl)-2-oxoethoxy]benzonitrile.

Molecular Properties

Compound Name4-chloro-2-[2-(3-chlorophenyl)-2-oxoethoxy]benzonitrile
PubChem CID114323790
Molecular FormulaC15H9Cl2NO2
Molecular Weight306.15 g/mol
Exact Mass305.00
IUPAC Name4-chloro-2-[2-(3-chlorophenyl)-2-oxoethoxy]benzonitrile
SMILESN#Cc1ccc(Cl)cc1OCC(=O)c1cccc(Cl)c1
InChIInChI=1S/C15H9Cl2NO2/c16-12-3-1-2-10(6-12)14(19)9-20-15-7-13(17)5-4-11(15)8-18/h1-7H,9H2
InChIKeyVMXUJEJKGBHXNC-UHFFFAOYSA-N
XLogP4.13
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-2-[2-(3-chlorophenyl)-2-oxoethoxy]benzonitrile 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

4-[2-(3-chlorophenyl)-2-oxoethoxy]-2-fluorobenzonitrile
CID 78952755
4-[2-(3-chlorophenyl)-2-oxoethoxy]-3-fluorobenzonitrile
CID 103793495
4-chloro-2-[2-(4-methylsulfanylphenyl)-2-oxoethoxy]benzonitrile
CID 114323757
3-[2-(3-chlorophenyl)-2-oxoethoxy]-4-methylbenzonitrile
CID 103760387
4-chloro-2-[2-(2-methoxyphenyl)-2-oxoethoxy]benzonitrile
CID 114323741
4-chloro-2-[2-(2,4-difluorophenyl)-2-oxoethoxy]benzonitrile
CID 114323759
2-[2-(3-bromothiophen-2-yl)-2-oxoethoxy]-4-chlorobenzonitrile
CID 114323779
N-tert-butyl-2-(5-chloro-2-cyanophenoxy)acetamide
CID 80708020
2-(3-chloro-2-fluorophenoxy)-1-(3-chlorophenyl)ethanone
CID 116689480
4-chloro-2-(3-methyl-2-oxopentoxy)benzonitrile
CID 114323732
4-chloro-2-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxybenzonitrile
CID 114323738
N-benzyl-2-(5-chloro-2-cyanophenoxy)acetamide
CID 80712025

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[2-(3-chlorophenyl)-2-oxoethoxy]benzonitrile?
The IUPAC name of 4-chloro-2-[2-(3-chlorophenyl)-2-oxoethoxy]benzonitrile (CID 114323790) is 4-chloro-2-[2-(3-chlorophenyl)-2-oxoethoxy]benzonitrile.
What is the SMILES notation for 4-chloro-2-[2-(3-chlorophenyl)-2-oxoethoxy]benzonitrile?
The canonical SMILES for 4-chloro-2-[2-(3-chlorophenyl)-2-oxoethoxy]benzonitrile is N#Cc1ccc(Cl)cc1OCC(=O)c1cccc(Cl)c1.
What is the InChIKey of 4-chloro-2-[2-(3-chlorophenyl)-2-oxoethoxy]benzonitrile?
The InChIKey is VMXUJEJKGBHXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2NO2/c16-12-3-1-2-10(6-12)14(19)9-20-15-7-13(17)5-4-11(15)8-18/h1-7H,9H2.
What are the key properties of 4-chloro-2-[2-(3-chlorophenyl)-2-oxoethoxy]benzonitrile?
4-chloro-2-[2-(3-chlorophenyl)-2-oxoethoxy]benzonitrile has a molecular weight of 306.15 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[2-(3-chlorophenyl)-2-oxoethoxy]benzonitrile is sourced from PubChem (CID 114323790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).