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

C15H13Cl3FN — CID 43503454

IUPAC5-chloro-N-[1-(2,4-dichlorophenyl)propyl]-2-fluoroaniline
SMILESCCC(Nc1cc(Cl)ccc1F)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H13Cl3FN/c1-2-14(11-5-3-9(16)7-12(11)18)20-15-8-10(17)4-6-13(15)19/h3-8,14,20H,2H2,1H3
InChIKeyDBACPVMVFCXZJE-UHFFFAOYSA-N
MW332.63 g/mol
LogP6.35
Rot. Bonds4

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

5-chloro-N-[1-(2,4-dichlorophenyl)propyl]-2-fluoroaniline (PubChem CID 43503454) has the molecular formula C15H13Cl3FN and a molecular weight of 332.63 g/mol. Its IUPAC name is 5-chloro-N-[1-(2,4-dichlorophenyl)propyl]-2-fluoroaniline.

Molecular Properties

Compound Name5-chloro-N-[1-(2,4-dichlorophenyl)propyl]-2-fluoroaniline
PubChem CID43503454
Molecular FormulaC15H13Cl3FN
Molecular Weight332.63 g/mol
Exact Mass331.01
IUPAC Name5-chloro-N-[1-(2,4-dichlorophenyl)propyl]-2-fluoroaniline
SMILESCCC(Nc1cc(Cl)ccc1F)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H13Cl3FN/c1-2-14(11-5-3-9(16)7-12(11)18)20-15-8-10(17)4-6-13(15)19/h3-8,14,20H,2H2,1H3
InChIKeyDBACPVMVFCXZJE-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

N-[1-(2,4-dichlorophenyl)propyl]-2,5-difluoro-4-methylaniline
CID 103585203
N-[1-(2,4-dichlorophenyl)propyl]-2,3,4-trifluoroaniline
CID 43503301
2-chloro-N-[1-(2,4-dichlorophenyl)propyl]-5-fluoroaniline
CID 107527392
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
4-bromo-N-[1-(2,4-dichlorophenyl)propyl]-2,6-difluoroaniline
CID 65468515
2-chloro-N-[1-(2,4-dichlorophenyl)propyl]-4-iodoaniline
CID 63445541
5-chloro-2-fluoro-N-(1-phenylpropyl)aniline
CID 43381923
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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(2,4-dichlorophenyl)propyl]-2-fluoroaniline?
The IUPAC name of 5-chloro-N-[1-(2,4-dichlorophenyl)propyl]-2-fluoroaniline (CID 43503454) is 5-chloro-N-[1-(2,4-dichlorophenyl)propyl]-2-fluoroaniline.
What is the SMILES notation for 5-chloro-N-[1-(2,4-dichlorophenyl)propyl]-2-fluoroaniline?
The canonical SMILES for 5-chloro-N-[1-(2,4-dichlorophenyl)propyl]-2-fluoroaniline is CCC(Nc1cc(Cl)ccc1F)c1ccc(Cl)cc1Cl.
What is the InChIKey of 5-chloro-N-[1-(2,4-dichlorophenyl)propyl]-2-fluoroaniline?
The InChIKey is DBACPVMVFCXZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl3FN/c1-2-14(11-5-3-9(16)7-12(11)18)20-15-8-10(17)4-6-13(15)19/h3-8,14,20H,2H2,1H3.
What are the key properties of 5-chloro-N-[1-(2,4-dichlorophenyl)propyl]-2-fluoroaniline?
5-chloro-N-[1-(2,4-dichlorophenyl)propyl]-2-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 5-chloro-N-[1-(2,4-dichlorophenyl)propyl]-2-fluoroaniline is sourced from PubChem (CID 43503454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).