3-chloro-N-[3-(2-chlorophenyl)cyclobutyl]-5-fluoroaniline

C16H14Cl2FN — CID 107364163

IUPAC3-chloro-N-[3-(2-chlorophenyl)cyclobutyl]-5-fluoroaniline
SMILESFc1cc(Cl)cc(NC2CC(c3ccccc3Cl)C2)c1
InChIInChI=1S/C16H14Cl2FN/c17-11-7-12(19)9-14(8-11)20-13-5-10(6-13)15-3-1-2-4-16(15)18/h1-4,7-10,13,20H,5-6H2
InChIKeyHALMPTSOZSYWAS-UHFFFAOYSA-N
MW310.20 g/mol
LogP5.49
Rot. Bonds3

About 3-chloro-N-[3-(2-chlorophenyl)cyclobutyl]-5-fluoroaniline

3-chloro-N-[3-(2-chlorophenyl)cyclobutyl]-5-fluoroaniline (PubChem CID 107364163) has the molecular formula C16H14Cl2FN and a molecular weight of 310.20 g/mol. Its IUPAC name is 3-chloro-N-[3-(2-chlorophenyl)cyclobutyl]-5-fluoroaniline.

Molecular Properties

Compound Name3-chloro-N-[3-(2-chlorophenyl)cyclobutyl]-5-fluoroaniline
PubChem CID107364163
Molecular FormulaC16H14Cl2FN
Molecular Weight310.20 g/mol
Exact Mass309.05
IUPAC Name3-chloro-N-[3-(2-chlorophenyl)cyclobutyl]-5-fluoroaniline
SMILESFc1cc(Cl)cc(NC2CC(c3ccccc3Cl)C2)c1
InChIInChI=1S/C16H14Cl2FN/c17-11-7-12(19)9-14(8-11)20-13-5-10(6-13)15-3-1-2-4-16(15)18/h1-4,7-10,13,20H,5-6H2
InChIKeyHALMPTSOZSYWAS-UHFFFAOYSA-N
XLogP5.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.20
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-(2-chlorophenyl)cyclobutyl]-3,4,5-trifluoroaniline
CID 63478402
3-bromo-N-[3-(2-chlorophenyl)cyclobutyl]-4-fluoroaniline
CID 104775924
3-chloro-N-[3-(3-chlorophenyl)cyclobutyl]-5-fluoroaniline
CID 107364256
2-bromo-N-[3-(2-chlorophenyl)cyclobutyl]-4,6-difluoroaniline
CID 43635249
3-chloro-5-fluoro-N-(4-phenylcyclohexyl)aniline
CID 107364123
N-[3-(2-chlorophenyl)cyclobutyl]-3-methylaniline
CID 43632546
3-chloro-N-cyclopentyl-5-fluoroaniline
CID 115743691
N-(3-chloro-5-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 107364341
2-[4-[[3-(2-chlorophenyl)cyclobutyl]amino]phenyl]ethanol
CID 61238598
3-N-(3-chloro-5-fluorophenyl)cyclopentane-1,3-diamine
CID 107364181
4-bromo-N-[3-(2-chlorophenyl)cyclobutyl]-3-methoxyaniline
CID 82859728
4-chloro-2-[[3-(2-chlorophenyl)cyclobutyl]amino]benzonitrile
CID 43681675

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-(2-chlorophenyl)cyclobutyl]-5-fluoroaniline?
The IUPAC name of 3-chloro-N-[3-(2-chlorophenyl)cyclobutyl]-5-fluoroaniline (CID 107364163) is 3-chloro-N-[3-(2-chlorophenyl)cyclobutyl]-5-fluoroaniline.
What is the SMILES notation for 3-chloro-N-[3-(2-chlorophenyl)cyclobutyl]-5-fluoroaniline?
The canonical SMILES for 3-chloro-N-[3-(2-chlorophenyl)cyclobutyl]-5-fluoroaniline is Fc1cc(Cl)cc(NC2CC(c3ccccc3Cl)C2)c1.
What is the InChIKey of 3-chloro-N-[3-(2-chlorophenyl)cyclobutyl]-5-fluoroaniline?
The InChIKey is HALMPTSOZSYWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2FN/c17-11-7-12(19)9-14(8-11)20-13-5-10(6-13)15-3-1-2-4-16(15)18/h1-4,7-10,13,20H,5-6H2.
What are the key properties of 3-chloro-N-[3-(2-chlorophenyl)cyclobutyl]-5-fluoroaniline?
3-chloro-N-[3-(2-chlorophenyl)cyclobutyl]-5-fluoroaniline has a molecular weight of 310.20 g/mol, XLogP of 5.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-(2-chlorophenyl)cyclobutyl]-5-fluoroaniline is sourced from PubChem (CID 107364163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).