2,6-dibromo-N-[3-(3-chlorophenyl)cyclobutyl]aniline

C16H14Br2ClN — CID 107597455

IUPAC2,6-dibromo-N-[3-(3-chlorophenyl)cyclobutyl]aniline
SMILESClc1cccc(C2CC(Nc3c(Br)cccc3Br)C2)c1
InChIInChI=1S/C16H14Br2ClN/c17-14-5-2-6-15(18)16(14)20-13-8-11(9-13)10-3-1-4-12(19)7-10/h1-7,11,13,20H,8-9H2
InChIKeyWRFAMYHIUOTBGK-UHFFFAOYSA-N
MW415.56 g/mol
LogP6.22
Rot. Bonds3

About 2,6-dibromo-N-[3-(3-chlorophenyl)cyclobutyl]aniline

2,6-dibromo-N-[3-(3-chlorophenyl)cyclobutyl]aniline (PubChem CID 107597455) has the molecular formula C16H14Br2ClN and a molecular weight of 415.56 g/mol. Its IUPAC name is 2,6-dibromo-N-[3-(3-chlorophenyl)cyclobutyl]aniline.

Molecular Properties

Compound Name2,6-dibromo-N-[3-(3-chlorophenyl)cyclobutyl]aniline
PubChem CID107597455
Molecular FormulaC16H14Br2ClN
Molecular Weight415.56 g/mol
Exact Mass412.92
IUPAC Name2,6-dibromo-N-[3-(3-chlorophenyl)cyclobutyl]aniline
SMILESClc1cccc(C2CC(Nc3c(Br)cccc3Br)C2)c1
InChIInChI=1S/C16H14Br2ClN/c17-14-5-2-6-15(18)16(14)20-13-8-11(9-13)10-3-1-4-12(19)7-10/h1-7,11,13,20H,8-9H2
InChIKeyWRFAMYHIUOTBGK-UHFFFAOYSA-N
XLogP6.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.56
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-dibromo-N-(3-phenylcyclobutyl)aniline
CID 107597016
5-chloro-N-[3-(3-chlorophenyl)cyclobutyl]-2-fluoroaniline
CID 43635416
2-bromo-N-[3-(4-chlorophenyl)cyclobutyl]-6-fluoroaniline
CID 107598312
4-bromo-N-[3-(3-chlorophenyl)cyclobutyl]-2-fluoroaniline
CID 43633138
4-[[3-(3-chlorophenyl)cyclobutyl]amino]phenol
CID 43742874
3,5-dichloro-N-[3-(3-chlorophenyl)cyclobutyl]-4-fluoroaniline
CID 107572788
N-[3-(3-chlorophenyl)cyclobutyl]-3-iodoaniline
CID 43635064
N-[3-(3-chlorophenyl)cyclobutyl]-3-fluoroaniline
CID 43633459
N-[3-(3-bromophenyl)cyclobutyl]-2,6-dichloro-4-fluoroaniline
CID 83078045
3-chloro-N-[3-(3-chlorophenyl)cyclobutyl]-5-fluoroaniline
CID 107364256
N-[3-(3-bromophenyl)cyclobutyl]-2,5-dichloroaniline
CID 43632805
4-[[3-(3-chlorophenyl)cyclobutyl]amino]benzoic acid
CID 43635176

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-N-[3-(3-chlorophenyl)cyclobutyl]aniline?
The IUPAC name of 2,6-dibromo-N-[3-(3-chlorophenyl)cyclobutyl]aniline (CID 107597455) is 2,6-dibromo-N-[3-(3-chlorophenyl)cyclobutyl]aniline.
What is the SMILES notation for 2,6-dibromo-N-[3-(3-chlorophenyl)cyclobutyl]aniline?
The canonical SMILES for 2,6-dibromo-N-[3-(3-chlorophenyl)cyclobutyl]aniline is Clc1cccc(C2CC(Nc3c(Br)cccc3Br)C2)c1.
What is the InChIKey of 2,6-dibromo-N-[3-(3-chlorophenyl)cyclobutyl]aniline?
The InChIKey is WRFAMYHIUOTBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2ClN/c17-14-5-2-6-15(18)16(14)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 2,6-dibromo-N-[3-(3-chlorophenyl)cyclobutyl]aniline?
2,6-dibromo-N-[3-(3-chlorophenyl)cyclobutyl]aniline has a molecular weight of 415.56 g/mol, XLogP of 6.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-N-[3-(3-chlorophenyl)cyclobutyl]aniline is sourced from PubChem (CID 107597455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).