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

C14H11Cl3FN — CID 107527068

IUPAC2-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-5-fluoroaniline
SMILESCC(Nc1cc(F)ccc1Cl)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H11Cl3FN/c1-8(9-2-4-11(15)13(17)6-9)19-14-7-10(18)3-5-12(14)16/h2-8,19H,1H3
InChIKeyZPBTVHXEGOHRJO-UHFFFAOYSA-N
MW318.61 g/mol
LogP5.96
Rot. Bonds3

About 2-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-5-fluoroaniline

2-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-5-fluoroaniline (PubChem CID 107527068) has the molecular formula C14H11Cl3FN and a molecular weight of 318.61 g/mol. Its IUPAC name is 2-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-5-fluoroaniline.

Molecular Properties

Compound Name2-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-5-fluoroaniline
PubChem CID107527068
Molecular FormulaC14H11Cl3FN
Molecular Weight318.61 g/mol
Exact Mass316.99
IUPAC Name2-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-5-fluoroaniline
SMILESCC(Nc1cc(F)ccc1Cl)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H11Cl3FN/c1-8(9-2-4-11(15)13(17)6-9)19-14-7-10(18)3-5-12(14)16/h2-8,19H,1H3
InChIKeyZPBTVHXEGOHRJO-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

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Related Compounds

2-chloro-N-[1-(4-ethoxyphenyl)ethyl]-5-fluoroaniline
CID 107527481
2-chloro-4-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline
CID 43088282
N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-fluoro-2-methylaniline
CID 83069686
2-[1-(2-chloro-5-fluoroanilino)ethyl]benzene-1,3-diol
CID 107711364
3-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-5-fluoroaniline
CID 107363878
(1R)-N-[1-(3,4-dichlorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81369376
N-[1-(3,4-dichlorophenyl)ethyl]-2-methoxyaniline
CID 43100398
5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]-4-fluoro-2-methylaniline
CID 107591194
3,4-dichloro-N-[1-(3-fluorophenyl)ethyl]aniline
CID 43096359
2-chloro-5-fluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 107527119
N-[1-(3-chloro-4-fluorophenyl)ethyl]-4-fluoro-2-methoxyaniline
CID 61221357
5-fluoro-2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline
CID 43109585

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-5-fluoroaniline?
The IUPAC name of 2-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-5-fluoroaniline (CID 107527068) is 2-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-5-fluoroaniline.
What is the SMILES notation for 2-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-5-fluoroaniline?
The canonical SMILES for 2-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-5-fluoroaniline is CC(Nc1cc(F)ccc1Cl)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-5-fluoroaniline?
The InChIKey is ZPBTVHXEGOHRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3FN/c1-8(9-2-4-11(15)13(17)6-9)19-14-7-10(18)3-5-12(14)16/h2-8,19H,1H3.
What are the key properties of 2-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-5-fluoroaniline?
2-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 2-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-5-fluoroaniline is sourced from PubChem (CID 107527068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).