3-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-5-fluoroaniline

C14H11Cl3FN — CID 107363878

IUPAC3-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-5-fluoroaniline
SMILESCC(Nc1cc(F)cc(Cl)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H11Cl3FN/c1-8(9-2-3-13(16)14(17)4-9)19-12-6-10(15)5-11(18)7-12/h2-8,19H,1H3
InChIKeyKQSVOMNOJSNBOJ-UHFFFAOYSA-N
MW318.61 g/mol
LogP5.96
Rot. Bonds3

About 3-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-5-fluoroaniline

3-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-5-fluoroaniline (PubChem CID 107363878) has the molecular formula C14H11Cl3FN and a molecular weight of 318.61 g/mol. Its IUPAC name is 3-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-5-fluoroaniline.

Molecular Properties

Compound Name3-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-5-fluoroaniline
PubChem CID107363878
Molecular FormulaC14H11Cl3FN
Molecular Weight318.61 g/mol
Exact Mass316.99
IUPAC Name3-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-5-fluoroaniline
SMILESCC(Nc1cc(F)cc(Cl)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H11Cl3FN/c1-8(9-2-3-13(16)14(17)4-9)19-12-6-10(15)5-11(18)7-12/h2-8,19H,1H3
InChIKeyKQSVOMNOJSNBOJ-UHFFFAOYSA-N
XLogP5.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.61
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-5-fluoroaniline 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-chloro-N-[1-(4-ethylphenyl)ethyl]-5-fluoroaniline
CID 107364137
3,5-dichloro-N-[1-(4-fluorophenyl)ethyl]aniline
CID 43081131
N-[1-(4-chlorophenyl)ethyl]-3,5-difluoroaniline
CID 43106541
3-chloro-5-fluoro-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline
CID 107363886
2-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-5-fluoroaniline
CID 107527068
3,4-dichloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]aniline
CID 83069760
N-[1-(3-chlorophenyl)ethyl]-3,5-difluoroaniline
CID 43094786
N-[1-(3,4-dichlorophenyl)ethyl]-3-fluoro-4-methylaniline
CID 43110873
3-chloro-5-fluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 113354863
3,4-dichloro-N-[1-(3-fluorophenyl)ethyl]aniline
CID 43096359
3-chloro-5-fluoro-N-(1-pyridin-2-ylethyl)aniline
CID 113347242
3,4-dichloro-N-[1-(4-chlorophenyl)ethyl]aniline
CID 43096908

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-5-fluoroaniline?
The IUPAC name of 3-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-5-fluoroaniline (CID 107363878) is 3-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-5-fluoroaniline.
What is the SMILES notation for 3-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-5-fluoroaniline?
The canonical SMILES for 3-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-5-fluoroaniline is CC(Nc1cc(F)cc(Cl)c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-5-fluoroaniline?
The InChIKey is KQSVOMNOJSNBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3FN/c1-8(9-2-3-13(16)14(17)4-9)19-12-6-10(15)5-11(18)7-12/h2-8,19H,1H3.
What are the key properties of 3-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-5-fluoroaniline?
3-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-5-fluoroaniline has a molecular weight of 318.61 g/mol, XLogP of 5.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-5-fluoroaniline is sourced from PubChem (CID 107363878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).