5-chloro-N-[1-(4-chlorophenyl)ethyl]-2-fluoroaniline

C14H12Cl2FN — CID 43381921

IUPAC5-chloro-N-[1-(4-chlorophenyl)ethyl]-2-fluoroaniline
SMILESCC(Nc1cc(Cl)ccc1F)c1ccc(Cl)cc1
InChIInChI=1S/C14H12Cl2FN/c1-9(10-2-4-11(15)5-3-10)18-14-8-12(16)6-7-13(14)17/h2-9,18H,1H3
InChIKeyGJUUCHGTSCIVLQ-UHFFFAOYSA-N
MW284.16 g/mol
LogP5.31
Rot. Bonds3

About 5-chloro-N-[1-(4-chlorophenyl)ethyl]-2-fluoroaniline

5-chloro-N-[1-(4-chlorophenyl)ethyl]-2-fluoroaniline (PubChem CID 43381921) has the molecular formula C14H12Cl2FN and a molecular weight of 284.16 g/mol. Its IUPAC name is 5-chloro-N-[1-(4-chlorophenyl)ethyl]-2-fluoroaniline.

Molecular Properties

Compound Name5-chloro-N-[1-(4-chlorophenyl)ethyl]-2-fluoroaniline
PubChem CID43381921
Molecular FormulaC14H12Cl2FN
Molecular Weight284.16 g/mol
Exact Mass283.03
IUPAC Name5-chloro-N-[1-(4-chlorophenyl)ethyl]-2-fluoroaniline
SMILESCC(Nc1cc(Cl)ccc1F)c1ccc(Cl)cc1
InChIInChI=1S/C14H12Cl2FN/c1-9(10-2-4-11(15)5-3-10)18-14-8-12(16)6-7-13(14)17/h2-9,18H,1H3
InChIKeyGJUUCHGTSCIVLQ-UHFFFAOYSA-N
XLogP5.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.16
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-2-fluoro-N-[1-(4-nitrophenyl)ethyl]aniline
CID 43438216
4-chloro-2-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline
CID 43226871
methyl 3-[1-(4-chlorophenyl)ethylamino]-4-fluorobenzoate
CID 43684447
2-fluoro-N-[1-(4-fluorophenyl)ethyl]-5-methylaniline
CID 43088434
5-chloro-2-methyl-N-[1-(4-methylphenyl)ethyl]aniline
CID 43102806
N-[1-(4-tert-butylphenyl)ethyl]-4-chloro-2-fluoroaniline
CID 43716632
N-[1-(4-chlorophenyl)ethyl]-3,5-difluoroaniline
CID 43106541
5-chloro-2-fluoro-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline
CID 43775999
5-chloro-N-[1-(4-chlorophenyl)ethyl]-2-ethoxyaniline
CID 63451342
2,5-difluoro-N-(1-phenylethyl)aniline
CID 43178058
4-chloro-2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline
CID 43101529
5-chloro-2-fluoro-N-(1-thiophen-2-ylethyl)aniline
CID 43438364

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(4-chlorophenyl)ethyl]-2-fluoroaniline?
The IUPAC name of 5-chloro-N-[1-(4-chlorophenyl)ethyl]-2-fluoroaniline (CID 43381921) is 5-chloro-N-[1-(4-chlorophenyl)ethyl]-2-fluoroaniline.
What is the SMILES notation for 5-chloro-N-[1-(4-chlorophenyl)ethyl]-2-fluoroaniline?
The canonical SMILES for 5-chloro-N-[1-(4-chlorophenyl)ethyl]-2-fluoroaniline is CC(Nc1cc(Cl)ccc1F)c1ccc(Cl)cc1.
What is the InChIKey of 5-chloro-N-[1-(4-chlorophenyl)ethyl]-2-fluoroaniline?
The InChIKey is GJUUCHGTSCIVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FN/c1-9(10-2-4-11(15)5-3-10)18-14-8-12(16)6-7-13(14)17/h2-9,18H,1H3.
What are the key properties of 5-chloro-N-[1-(4-chlorophenyl)ethyl]-2-fluoroaniline?
5-chloro-N-[1-(4-chlorophenyl)ethyl]-2-fluoroaniline has a molecular weight of 284.16 g/mol, XLogP of 5.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(4-chlorophenyl)ethyl]-2-fluoroaniline is sourced from PubChem (CID 43381921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).