3-chloro-N-[3-[2-(4-chlorophenyl)ethyl]phenyl]-1-ethylpyridin-4-imine

C21H20Cl2N2 — CID 45267886

IUPAC3-chloro-N-[3-[2-(4-chlorophenyl)ethyl]phenyl]-1-ethylpyridin-4-imine
SMILESCCn1cc/c(=N\c2cccc(CCc3ccc(Cl)cc3)c2)c(Cl)c1
InChIInChI=1S/C21H20Cl2N2/c1-2-25-13-12-21(20(23)15-25)24-19-5-3-4-17(14-19)7-6-16-8-10-18(22)11-9-16/h3-5,8-15H,2,6-7H2,1H3/b24-21+
InChIKeyRDNSVUHQPAESES-DARPEHSRSA-N
MW371.31 g/mol
LogP5.83
Rot. Bonds5

About 3-chloro-N-[3-[2-(4-chlorophenyl)ethyl]phenyl]-1-ethylpyridin-4-imine

3-chloro-N-[3-[2-(4-chlorophenyl)ethyl]phenyl]-1-ethylpyridin-4-imine (PubChem CID 45267886) has the molecular formula C21H20Cl2N2 and a molecular weight of 371.31 g/mol. Its IUPAC name is 3-chloro-N-[3-[2-(4-chlorophenyl)ethyl]phenyl]-1-ethylpyridin-4-imine.

Molecular Properties

Compound Name3-chloro-N-[3-[2-(4-chlorophenyl)ethyl]phenyl]-1-ethylpyridin-4-imine
PubChem CID45267886
Molecular FormulaC21H20Cl2N2
Molecular Weight371.31 g/mol
Exact Mass370.10
IUPAC Name3-chloro-N-[3-[2-(4-chlorophenyl)ethyl]phenyl]-1-ethylpyridin-4-imine
SMILESCCn1cc/c(=N\c2cccc(CCc3ccc(Cl)cc3)c2)c(Cl)c1
InChIInChI=1S/C21H20Cl2N2/c1-2-25-13-12-21(20(23)15-25)24-19-5-3-4-17(14-19)7-6-16-8-10-18(22)11-9-16/h3-5,8-15H,2,6-7H2,1H3/b24-21+
InChIKeyRDNSVUHQPAESES-DARPEHSRSA-N
XLogP5.83
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.31
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-chloro-N-[3-[2-(4-chlorophenyl)ethyl]phenyl]-1-ethylpyridin-4-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-[2-(4-chlorophenyl)ethyl]phenyl]-1-ethylpyridin-4-imine?
The IUPAC name of 3-chloro-N-[3-[2-(4-chlorophenyl)ethyl]phenyl]-1-ethylpyridin-4-imine (CID 45267886) is 3-chloro-N-[3-[2-(4-chlorophenyl)ethyl]phenyl]-1-ethylpyridin-4-imine.
What is the SMILES notation for 3-chloro-N-[3-[2-(4-chlorophenyl)ethyl]phenyl]-1-ethylpyridin-4-imine?
The canonical SMILES for 3-chloro-N-[3-[2-(4-chlorophenyl)ethyl]phenyl]-1-ethylpyridin-4-imine is CCn1cc/c(=N\c2cccc(CCc3ccc(Cl)cc3)c2)c(Cl)c1.
What is the InChIKey of 3-chloro-N-[3-[2-(4-chlorophenyl)ethyl]phenyl]-1-ethylpyridin-4-imine?
The InChIKey is RDNSVUHQPAESES-DARPEHSRSA-N. The full InChI is InChI=1S/C21H20Cl2N2/c1-2-25-13-12-21(20(23)15-25)24-19-5-3-4-17(14-19)7-6-16-8-10-18(22)11-9-16/h3-5,8-15H,2,6-7H2,1H3/b24-21+.
What are the key properties of 3-chloro-N-[3-[2-(4-chlorophenyl)ethyl]phenyl]-1-ethylpyridin-4-imine?
3-chloro-N-[3-[2-(4-chlorophenyl)ethyl]phenyl]-1-ethylpyridin-4-imine has a molecular weight of 371.31 g/mol, XLogP of 5.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-[2-(4-chlorophenyl)ethyl]phenyl]-1-ethylpyridin-4-imine is sourced from PubChem (CID 45267886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).