3-chloro-N-[1-(4-chlorophenyl)propyl]-4-fluoroaniline

C15H14Cl2FN — CID 43119213

IUPAC3-chloro-N-[1-(4-chlorophenyl)propyl]-4-fluoroaniline
SMILESCCC(Nc1ccc(F)c(Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C15H14Cl2FN/c1-2-15(10-3-5-11(16)6-4-10)19-12-7-8-14(18)13(17)9-12/h3-9,15,19H,2H2,1H3
InChIKeyPZJXCFWUAOWCBQ-UHFFFAOYSA-N
MW298.19 g/mol
LogP5.70
Rot. Bonds4

About 3-chloro-N-[1-(4-chlorophenyl)propyl]-4-fluoroaniline

3-chloro-N-[1-(4-chlorophenyl)propyl]-4-fluoroaniline (PubChem CID 43119213) has the molecular formula C15H14Cl2FN and a molecular weight of 298.19 g/mol. Its IUPAC name is 3-chloro-N-[1-(4-chlorophenyl)propyl]-4-fluoroaniline.

Molecular Properties

Compound Name3-chloro-N-[1-(4-chlorophenyl)propyl]-4-fluoroaniline
PubChem CID43119213
Molecular FormulaC15H14Cl2FN
Molecular Weight298.19 g/mol
Exact Mass297.05
IUPAC Name3-chloro-N-[1-(4-chlorophenyl)propyl]-4-fluoroaniline
SMILESCCC(Nc1ccc(F)c(Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C15H14Cl2FN/c1-2-15(10-3-5-11(16)6-4-10)19-12-7-8-14(18)13(17)9-12/h3-9,15,19H,2H2,1H3
InChIKeyPZJXCFWUAOWCBQ-UHFFFAOYSA-N
XLogP5.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.19
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[1-(3-chloro-4-fluoroanilino)propyl]phenol
CID 43119212
3-chloro-N-[1-(4-fluorophenyl)propyl]-4-methylaniline
CID 43104292
4-chloro-3-fluoro-N-[1-(4-methoxyphenyl)propyl]aniline
CID 43721457
4-fluoro-3-methyl-N-(1-phenylpropyl)aniline
CID 62809853
N-(3-chloro-4-fluorophenyl)-1-phenylethane-1,2-diamine
CID 82133663
N-[1-(4-chlorophenyl)propyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43096244
N-[1-(4-chlorophenyl)propyl]-2,4,5-trifluoroaniline
CID 63476825
1-(3-chloro-4-fluorophenyl)-N-(4-chlorophenyl)ethane-1,2-diamine
CID 81145659
N-[1-(4-bromophenyl)propyl]-3-chloro-4-methylaniline
CID 43111547
2-chloro-4-[1-(4-ethylphenyl)propylamino]phenol
CID 107678033
N-[1-(2,4-dichlorophenyl)propyl]-3,4-difluoroaniline
CID 43503317
3-bromo-N-[1-(4-chlorophenyl)propyl]-5-methylaniline
CID 107582181

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(4-chlorophenyl)propyl]-4-fluoroaniline?
The IUPAC name of 3-chloro-N-[1-(4-chlorophenyl)propyl]-4-fluoroaniline (CID 43119213) is 3-chloro-N-[1-(4-chlorophenyl)propyl]-4-fluoroaniline.
What is the SMILES notation for 3-chloro-N-[1-(4-chlorophenyl)propyl]-4-fluoroaniline?
The canonical SMILES for 3-chloro-N-[1-(4-chlorophenyl)propyl]-4-fluoroaniline is CCC(Nc1ccc(F)c(Cl)c1)c1ccc(Cl)cc1.
What is the InChIKey of 3-chloro-N-[1-(4-chlorophenyl)propyl]-4-fluoroaniline?
The InChIKey is PZJXCFWUAOWCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FN/c1-2-15(10-3-5-11(16)6-4-10)19-12-7-8-14(18)13(17)9-12/h3-9,15,19H,2H2,1H3.
What are the key properties of 3-chloro-N-[1-(4-chlorophenyl)propyl]-4-fluoroaniline?
3-chloro-N-[1-(4-chlorophenyl)propyl]-4-fluoroaniline has a molecular weight of 298.19 g/mol, XLogP of 5.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(4-chlorophenyl)propyl]-4-fluoroaniline is sourced from PubChem (CID 43119213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).