2,4-dichloro-N-[1-(4-fluorophenyl)pentyl]aniline

C17H18Cl2FN — CID 43093374

IUPAC2,4-dichloro-N-[1-(4-fluorophenyl)pentyl]aniline
SMILESCCCCC(Nc1ccc(Cl)cc1Cl)c1ccc(F)cc1
InChIInChI=1S/C17H18Cl2FN/c1-2-3-4-16(12-5-8-14(20)9-6-12)21-17-10-7-13(18)11-15(17)19/h5-11,16,21H,2-4H2,1H3
InChIKeyQBPSKZQTSNPJFG-UHFFFAOYSA-N
MW326.24 g/mol
LogP6.48
Rot. Bonds6

About 2,4-dichloro-N-[1-(4-fluorophenyl)pentyl]aniline

2,4-dichloro-N-[1-(4-fluorophenyl)pentyl]aniline (PubChem CID 43093374) has the molecular formula C17H18Cl2FN and a molecular weight of 326.24 g/mol. Its IUPAC name is 2,4-dichloro-N-[1-(4-fluorophenyl)pentyl]aniline.

Molecular Properties

Compound Name2,4-dichloro-N-[1-(4-fluorophenyl)pentyl]aniline
PubChem CID43093374
Molecular FormulaC17H18Cl2FN
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name2,4-dichloro-N-[1-(4-fluorophenyl)pentyl]aniline
SMILESCCCCC(Nc1ccc(Cl)cc1Cl)c1ccc(F)cc1
InChIInChI=1S/C17H18Cl2FN/c1-2-3-4-16(12-5-8-14(20)9-6-12)21-17-10-7-13(18)11-15(17)19/h5-11,16,21H,2-4H2,1H3
InChIKeyQBPSKZQTSNPJFG-UHFFFAOYSA-N
XLogP6.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.24
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[1-(4-fluorophenyl)pentyl]aniline?
The IUPAC name of 2,4-dichloro-N-[1-(4-fluorophenyl)pentyl]aniline (CID 43093374) is 2,4-dichloro-N-[1-(4-fluorophenyl)pentyl]aniline.
What is the SMILES notation for 2,4-dichloro-N-[1-(4-fluorophenyl)pentyl]aniline?
The canonical SMILES for 2,4-dichloro-N-[1-(4-fluorophenyl)pentyl]aniline is CCCCC(Nc1ccc(Cl)cc1Cl)c1ccc(F)cc1.
What is the InChIKey of 2,4-dichloro-N-[1-(4-fluorophenyl)pentyl]aniline?
The InChIKey is QBPSKZQTSNPJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2FN/c1-2-3-4-16(12-5-8-14(20)9-6-12)21-17-10-7-13(18)11-15(17)19/h5-11,16,21H,2-4H2,1H3.
What are the key properties of 2,4-dichloro-N-[1-(4-fluorophenyl)pentyl]aniline?
2,4-dichloro-N-[1-(4-fluorophenyl)pentyl]aniline has a molecular weight of 326.24 g/mol, XLogP of 6.48, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[1-(4-fluorophenyl)pentyl]aniline is sourced from PubChem (CID 43093374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).