N-[3-(3-bromophenyl)cyclobutyl]-4-fluoroaniline

C16H15BrFN — CID 43633558

IUPACN-[3-(3-bromophenyl)cyclobutyl]-4-fluoroaniline
SMILESFc1ccc(NC2CC(c3cccc(Br)c3)C2)cc1
InChIInChI=1S/C16H15BrFN/c17-13-3-1-2-11(8-13)12-9-16(10-12)19-15-6-4-14(18)5-7-15/h1-8,12,16,19H,9-10H2
InChIKeyFSXJBOMUYOPFIL-UHFFFAOYSA-N
MW320.21 g/mol
LogP4.95
Rot. Bonds3

About N-[3-(3-bromophenyl)cyclobutyl]-4-fluoroaniline

N-[3-(3-bromophenyl)cyclobutyl]-4-fluoroaniline (PubChem CID 43633558) has the molecular formula C16H15BrFN and a molecular weight of 320.21 g/mol. Its IUPAC name is N-[3-(3-bromophenyl)cyclobutyl]-4-fluoroaniline.

Molecular Properties

Compound NameN-[3-(3-bromophenyl)cyclobutyl]-4-fluoroaniline
PubChem CID43633558
Molecular FormulaC16H15BrFN
Molecular Weight320.21 g/mol
Exact Mass319.04
IUPAC NameN-[3-(3-bromophenyl)cyclobutyl]-4-fluoroaniline
SMILESFc1ccc(NC2CC(c3cccc(Br)c3)C2)cc1
InChIInChI=1S/C16H15BrFN/c17-13-3-1-2-11(8-13)12-9-16(10-12)19-15-6-4-14(18)5-7-15/h1-8,12,16,19H,9-10H2
InChIKeyFSXJBOMUYOPFIL-UHFFFAOYSA-N
XLogP4.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.21
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-(3-bromophenyl)cyclobutyl]-3,4-difluoroaniline
CID 43633363
2-bromo-N-[3-(3-bromophenyl)cyclobutyl]-5-fluoroaniline
CID 107632699
N-[3-(3-bromophenyl)cyclobutyl]-4-chloro-3-fluoroaniline
CID 43721602
4-fluoro-N-[3-(3-methylphenyl)cyclobutyl]aniline
CID 43633563
4-fluoro-N-(3-phenylcyclobutyl)aniline
CID 43632156
N-[3-(3-bromophenyl)cyclobutyl]-2,6-dichloro-4-fluoroaniline
CID 83078045
N-[3-(3-bromophenyl)cyclobutyl]-2,3-dihydro-1H-inden-5-amine
CID 43633283
4-[[3-(3-bromophenyl)cyclobutyl]amino]-2,6-dichlorophenol
CID 107678955
4-bromo-N-[3-(3-fluorophenyl)cyclobutyl]-3-methylaniline
CID 43633146
3-(3-bromophenyl)-N-[(2,4-difluorophenyl)methyl]cyclobutan-1-amine
CID 62223797
3-bromo-N-[3-(4-bromophenyl)cyclobutyl]aniline
CID 43633547
2,4-dibromo-N-[3-(3-fluorophenyl)cyclobutyl]aniline
CID 43683227

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-bromophenyl)cyclobutyl]-4-fluoroaniline?
The IUPAC name of N-[3-(3-bromophenyl)cyclobutyl]-4-fluoroaniline (CID 43633558) is N-[3-(3-bromophenyl)cyclobutyl]-4-fluoroaniline.
What is the SMILES notation for N-[3-(3-bromophenyl)cyclobutyl]-4-fluoroaniline?
The canonical SMILES for N-[3-(3-bromophenyl)cyclobutyl]-4-fluoroaniline is Fc1ccc(NC2CC(c3cccc(Br)c3)C2)cc1.
What is the InChIKey of N-[3-(3-bromophenyl)cyclobutyl]-4-fluoroaniline?
The InChIKey is FSXJBOMUYOPFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFN/c17-13-3-1-2-11(8-13)12-9-16(10-12)19-15-6-4-14(18)5-7-15/h1-8,12,16,19H,9-10H2.
What are the key properties of N-[3-(3-bromophenyl)cyclobutyl]-4-fluoroaniline?
N-[3-(3-bromophenyl)cyclobutyl]-4-fluoroaniline has a molecular weight of 320.21 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-bromophenyl)cyclobutyl]-4-fluoroaniline is sourced from PubChem (CID 43633558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).