2-chloro-N-[1-(2,4-dichlorophenyl)propyl]-5-fluoroaniline

C15H13Cl3FN — CID 107527392

IUPAC2-chloro-N-[1-(2,4-dichlorophenyl)propyl]-5-fluoroaniline
SMILESCCC(Nc1cc(F)ccc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H13Cl3FN/c1-2-14(11-5-3-9(16)7-13(11)18)20-15-8-10(19)4-6-12(15)17/h3-8,14,20H,2H2,1H3
InChIKeyAIRIIAKSJIIUMV-UHFFFAOYSA-N
MW332.63 g/mol
LogP6.35
Rot. Bonds4

About 2-chloro-N-[1-(2,4-dichlorophenyl)propyl]-5-fluoroaniline

2-chloro-N-[1-(2,4-dichlorophenyl)propyl]-5-fluoroaniline (PubChem CID 107527392) has the molecular formula C15H13Cl3FN and a molecular weight of 332.63 g/mol. Its IUPAC name is 2-chloro-N-[1-(2,4-dichlorophenyl)propyl]-5-fluoroaniline.

Molecular Properties

Compound Name2-chloro-N-[1-(2,4-dichlorophenyl)propyl]-5-fluoroaniline
PubChem CID107527392
Molecular FormulaC15H13Cl3FN
Molecular Weight332.63 g/mol
Exact Mass331.01
IUPAC Name2-chloro-N-[1-(2,4-dichlorophenyl)propyl]-5-fluoroaniline
SMILESCCC(Nc1cc(F)ccc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H13Cl3FN/c1-2-14(11-5-3-9(16)7-13(11)18)20-15-8-10(19)4-6-12(15)17/h3-8,14,20H,2H2,1H3
InChIKeyAIRIIAKSJIIUMV-UHFFFAOYSA-N
XLogP6.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.63
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-N-[1-(2,4-dichlorophenyl)propyl]-2-fluoroaniline
CID 43503454
N-[1-(2,4-dichlorophenyl)propyl]-2,3,4-trifluoroaniline
CID 43503301
N-[1-(2,4-dichlorophenyl)propyl]-2,5-difluoro-4-methylaniline
CID 103585203
N-[1-(2,4-dichlorophenyl)propyl]-3,4-difluoroaniline
CID 43503317
N-[1-(2,4-dichlorophenyl)propyl]-3,4,5-trifluoroaniline
CID 63478229
N-[1-(2,4-dichlorophenyl)propyl]-2,6-difluoro-3-methylaniline
CID 82799478
2-chloro-N-[1-(2,4-dichlorophenyl)propyl]-4-iodoaniline
CID 63445541
4-bromo-N-[1-(2,4-dichlorophenyl)propyl]-2,6-difluoroaniline
CID 65468515
2,4-dichloro-N-[1-(2-fluorophenyl)propyl]aniline
CID 112676843
4-[1-(2,4-dichlorophenyl)propylamino]-2-fluorophenol
CID 64794999
N-[1-(2,4-dichlorophenyl)propyl]-4-methylsulfanylaniline
CID 43503298
2-bromo-N-[1-(2,4-dichlorophenyl)propyl]-6-fluoroaniline
CID 107598199

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2,4-dichlorophenyl)propyl]-5-fluoroaniline?
The IUPAC name of 2-chloro-N-[1-(2,4-dichlorophenyl)propyl]-5-fluoroaniline (CID 107527392) is 2-chloro-N-[1-(2,4-dichlorophenyl)propyl]-5-fluoroaniline.
What is the SMILES notation for 2-chloro-N-[1-(2,4-dichlorophenyl)propyl]-5-fluoroaniline?
The canonical SMILES for 2-chloro-N-[1-(2,4-dichlorophenyl)propyl]-5-fluoroaniline is CCC(Nc1cc(F)ccc1Cl)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-chloro-N-[1-(2,4-dichlorophenyl)propyl]-5-fluoroaniline?
The InChIKey is AIRIIAKSJIIUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl3FN/c1-2-14(11-5-3-9(16)7-13(11)18)20-15-8-10(19)4-6-12(15)17/h3-8,14,20H,2H2,1H3.
What are the key properties of 2-chloro-N-[1-(2,4-dichlorophenyl)propyl]-5-fluoroaniline?
2-chloro-N-[1-(2,4-dichlorophenyl)propyl]-5-fluoroaniline has a molecular weight of 332.63 g/mol, XLogP of 6.35, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(2,4-dichlorophenyl)propyl]-5-fluoroaniline is sourced from PubChem (CID 107527392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).