2-chloro-4-(3-chloro-5-fluorophenyl)-N-ethyl-6-fluoroaniline

C14H11Cl2F2N — CID 6426137

IUPAC2-chloro-4-(3-chloro-5-fluorophenyl)-N-ethyl-6-fluoroaniline
SMILESCCNc1c(F)cc(-c2cc(F)cc(Cl)c2)cc1Cl
InChIInChI=1S/C14H11Cl2F2N/c1-2-19-14-12(16)5-9(6-13(14)18)8-3-10(15)7-11(17)4-8/h3-7,19H,2H2,1H3
InChIKeyBPUAFPJWSPLENJ-UHFFFAOYSA-N
MW302.15 g/mol
LogP5.37
Rot. Bonds3

About 2-chloro-4-(3-chloro-5-fluorophenyl)-N-ethyl-6-fluoroaniline

2-chloro-4-(3-chloro-5-fluorophenyl)-N-ethyl-6-fluoroaniline (PubChem CID 6426137) has the molecular formula C14H11Cl2F2N and a molecular weight of 302.15 g/mol. Its IUPAC name is 2-chloro-4-(3-chloro-5-fluorophenyl)-N-ethyl-6-fluoroaniline.

Molecular Properties

Compound Name2-chloro-4-(3-chloro-5-fluorophenyl)-N-ethyl-6-fluoroaniline
PubChem CID6426137
Molecular FormulaC14H11Cl2F2N
Molecular Weight302.15 g/mol
Exact Mass301.02
IUPAC Name2-chloro-4-(3-chloro-5-fluorophenyl)-N-ethyl-6-fluoroaniline
SMILESCCNc1c(F)cc(-c2cc(F)cc(Cl)c2)cc1Cl
InChIInChI=1S/C14H11Cl2F2N/c1-2-19-14-12(16)5-9(6-13(14)18)8-3-10(15)7-11(17)4-8/h3-7,19H,2H2,1H3
InChIKeyBPUAFPJWSPLENJ-UHFFFAOYSA-N
XLogP5.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.15
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-chloro-4-(3-chloro-5-fluorophenyl)-N-ethyl-6-fluoroaniline 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 2-chloro-4-(3-chloro-5-fluorophenyl)-N-ethyl-6-fluoroaniline?
The IUPAC name of 2-chloro-4-(3-chloro-5-fluorophenyl)-N-ethyl-6-fluoroaniline (CID 6426137) is 2-chloro-4-(3-chloro-5-fluorophenyl)-N-ethyl-6-fluoroaniline.
What is the SMILES notation for 2-chloro-4-(3-chloro-5-fluorophenyl)-N-ethyl-6-fluoroaniline?
The canonical SMILES for 2-chloro-4-(3-chloro-5-fluorophenyl)-N-ethyl-6-fluoroaniline is CCNc1c(F)cc(-c2cc(F)cc(Cl)c2)cc1Cl.
What is the InChIKey of 2-chloro-4-(3-chloro-5-fluorophenyl)-N-ethyl-6-fluoroaniline?
The InChIKey is BPUAFPJWSPLENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2F2N/c1-2-19-14-12(16)5-9(6-13(14)18)8-3-10(15)7-11(17)4-8/h3-7,19H,2H2,1H3.
What are the key properties of 2-chloro-4-(3-chloro-5-fluorophenyl)-N-ethyl-6-fluoroaniline?
2-chloro-4-(3-chloro-5-fluorophenyl)-N-ethyl-6-fluoroaniline has a molecular weight of 302.15 g/mol, XLogP of 5.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-chloro-5-fluorophenyl)-N-ethyl-6-fluoroaniline is sourced from PubChem (CID 6426137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).