3-chloro-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-fluoroaniline

C14H11Cl2F2N — CID 43122894

IUPAC3-chloro-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-fluoroaniline
SMILESCC(Nc1cccc(Cl)c1F)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H11Cl2F2N/c1-8(9-5-6-12(17)11(16)7-9)19-13-4-2-3-10(15)14(13)18/h2-8,19H,1H3
InChIKeyZQFCNEMWDFXOOF-UHFFFAOYSA-N
MW302.15 g/mol
LogP5.44
Rot. Bonds3

About 3-chloro-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-fluoroaniline

3-chloro-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-fluoroaniline (PubChem CID 43122894) has the molecular formula C14H11Cl2F2N and a molecular weight of 302.15 g/mol. Its IUPAC name is 3-chloro-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-fluoroaniline.

Molecular Properties

Compound Name3-chloro-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-fluoroaniline
PubChem CID43122894
Molecular FormulaC14H11Cl2F2N
Molecular Weight302.15 g/mol
Exact Mass301.02
IUPAC Name3-chloro-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-fluoroaniline
SMILESCC(Nc1cccc(Cl)c1F)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H11Cl2F2N/c1-8(9-5-6-12(17)11(16)7-9)19-13-4-2-3-10(15)14(13)18/h2-8,19H,1H3
InChIKeyZQFCNEMWDFXOOF-UHFFFAOYSA-N
XLogP5.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.15
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-2-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline
CID 43085619
N-[1-(3-chloro-4-fluorophenyl)ethyl]isoquinolin-5-amine
CID 43681264
3-chloro-N-[1-[4-(dimethylamino)phenyl]ethyl]-2-fluoroaniline
CID 43772875
3-chloro-2-fluoro-N-(1-pyridin-4-ylethyl)aniline
CID 43122983
2-bromo-3-chloro-N-[1-(3,4-difluorophenyl)ethyl]aniline
CID 103477852
N-[1-(3-chloro-4-fluorophenyl)ethyl]-2,3,5,6-tetrafluoroaniline
CID 107643726
2-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-3-chloroaniline
CID 103478235
N-[1-(3-chloro-4-fluorophenyl)ethyl]-2,6-difluoro-3-methylaniline
CID 82815461
2,6-dichloro-N-[1-(3,4-difluorophenyl)ethyl]aniline
CID 65468567
3-chloro-2-fluoro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline
CID 43122944
4-chloro-2-[1-(3-chloro-4-fluorophenyl)ethylamino]benzonitrile
CID 43681452
N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-(4-chlorophenyl)ethanamine
CID 43108630

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-fluoroaniline?
The IUPAC name of 3-chloro-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-fluoroaniline (CID 43122894) is 3-chloro-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-fluoroaniline.
What is the SMILES notation for 3-chloro-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-fluoroaniline?
The canonical SMILES for 3-chloro-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-fluoroaniline is CC(Nc1cccc(Cl)c1F)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-fluoroaniline?
The InChIKey is ZQFCNEMWDFXOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2F2N/c1-8(9-5-6-12(17)11(16)7-9)19-13-4-2-3-10(15)14(13)18/h2-8,19H,1H3.
What are the key properties of 3-chloro-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-fluoroaniline?
3-chloro-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-fluoroaniline has a molecular weight of 302.15 g/mol, XLogP of 5.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-fluoroaniline is sourced from PubChem (CID 43122894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).