2-bromo-3-chloro-N-[3-(3-fluorophenyl)cyclobutyl]aniline

C16H14BrClFN — CID 103478342

IUPAC2-bromo-3-chloro-N-[3-(3-fluorophenyl)cyclobutyl]aniline
SMILESFc1cccc(C2CC(Nc3cccc(Cl)c3Br)C2)c1
InChIInChI=1S/C16H14BrClFN/c17-16-14(18)5-2-6-15(16)20-13-8-11(9-13)10-3-1-4-12(19)7-10/h1-7,11,13,20H,8-9H2
InChIKeyXYUHJEBRTJFFCE-UHFFFAOYSA-N
MW354.65 g/mol
LogP5.60
Rot. Bonds3

About 2-bromo-3-chloro-N-[3-(3-fluorophenyl)cyclobutyl]aniline

2-bromo-3-chloro-N-[3-(3-fluorophenyl)cyclobutyl]aniline (PubChem CID 103478342) has the molecular formula C16H14BrClFN and a molecular weight of 354.65 g/mol. Its IUPAC name is 2-bromo-3-chloro-N-[3-(3-fluorophenyl)cyclobutyl]aniline.

Molecular Properties

Compound Name2-bromo-3-chloro-N-[3-(3-fluorophenyl)cyclobutyl]aniline
PubChem CID103478342
Molecular FormulaC16H14BrClFN
Molecular Weight354.65 g/mol
Exact Mass353.00
IUPAC Name2-bromo-3-chloro-N-[3-(3-fluorophenyl)cyclobutyl]aniline
SMILESFc1cccc(C2CC(Nc3cccc(Cl)c3Br)C2)c1
InChIInChI=1S/C16H14BrClFN/c17-16-14(18)5-2-6-15(16)20-13-8-11(9-13)10-3-1-4-12(19)7-10/h1-7,11,13,20H,8-9H2
InChIKeyXYUHJEBRTJFFCE-UHFFFAOYSA-N
XLogP5.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.65
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-2-fluoro-N-[3-(3-fluorophenyl)cyclobutyl]aniline
CID 43634997
2,4,5-trichloro-N-[3-(3-fluorophenyl)cyclobutyl]aniline
CID 43633053
2-chloro-5-fluoro-N-[3-(3-fluorophenyl)cyclobutyl]aniline
CID 107527502
2-bromo-3-chloro-N-[3-(3-methoxyphenyl)cyclobutyl]aniline
CID 103478343
2,5-dibromo-N-[3-(3-fluorophenyl)cyclobutyl]aniline
CID 43736844
2,4-dibromo-N-[3-(3-fluorophenyl)cyclobutyl]aniline
CID 43683227
2,6-dichloro-4-[[3-(3-fluorophenyl)cyclobutyl]amino]phenol
CID 107679299
N-[3-(3-bromophenyl)cyclobutyl]-2,6-dichloro-4-fluoroaniline
CID 83078045
2-bromo-N-[3-(3-bromophenyl)cyclobutyl]-5-fluoroaniline
CID 107632699
2-[[3-(3-fluorophenyl)cyclobutyl]amino]benzoic acid
CID 43635194
2-bromo-3-chloro-N-(4-phenylcyclohexyl)aniline
CID 103477966
N-[3-(3-fluorophenyl)cyclobutyl]-2-propylaniline
CID 43687441

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-chloro-N-[3-(3-fluorophenyl)cyclobutyl]aniline?
The IUPAC name of 2-bromo-3-chloro-N-[3-(3-fluorophenyl)cyclobutyl]aniline (CID 103478342) is 2-bromo-3-chloro-N-[3-(3-fluorophenyl)cyclobutyl]aniline.
What is the SMILES notation for 2-bromo-3-chloro-N-[3-(3-fluorophenyl)cyclobutyl]aniline?
The canonical SMILES for 2-bromo-3-chloro-N-[3-(3-fluorophenyl)cyclobutyl]aniline is Fc1cccc(C2CC(Nc3cccc(Cl)c3Br)C2)c1.
What is the InChIKey of 2-bromo-3-chloro-N-[3-(3-fluorophenyl)cyclobutyl]aniline?
The InChIKey is XYUHJEBRTJFFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClFN/c17-16-14(18)5-2-6-15(16)20-13-8-11(9-13)10-3-1-4-12(19)7-10/h1-7,11,13,20H,8-9H2.
What are the key properties of 2-bromo-3-chloro-N-[3-(3-fluorophenyl)cyclobutyl]aniline?
2-bromo-3-chloro-N-[3-(3-fluorophenyl)cyclobutyl]aniline has a molecular weight of 354.65 g/mol, XLogP of 5.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-chloro-N-[3-(3-fluorophenyl)cyclobutyl]aniline is sourced from PubChem (CID 103478342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).