N-[3-(3-bromophenyl)cyclobutyl]-2,5-dichloroaniline

C16H14BrCl2N — CID 43632805

IUPACN-[3-(3-bromophenyl)cyclobutyl]-2,5-dichloroaniline
SMILESClc1ccc(Cl)c(NC2CC(c3cccc(Br)c3)C2)c1
InChIInChI=1S/C16H14BrCl2N/c17-12-3-1-2-10(6-12)11-7-14(8-11)20-16-9-13(18)4-5-15(16)19/h1-6,9,11,14,20H,7-8H2
InChIKeyUVBXZHPCCIBBSN-UHFFFAOYSA-N
MW371.11 g/mol
LogP6.11
Rot. Bonds3

About N-[3-(3-bromophenyl)cyclobutyl]-2,5-dichloroaniline

N-[3-(3-bromophenyl)cyclobutyl]-2,5-dichloroaniline (PubChem CID 43632805) has the molecular formula C16H14BrCl2N and a molecular weight of 371.11 g/mol. Its IUPAC name is N-[3-(3-bromophenyl)cyclobutyl]-2,5-dichloroaniline.

Molecular Properties

Compound NameN-[3-(3-bromophenyl)cyclobutyl]-2,5-dichloroaniline
PubChem CID43632805
Molecular FormulaC16H14BrCl2N
Molecular Weight371.11 g/mol
Exact Mass368.97
IUPAC NameN-[3-(3-bromophenyl)cyclobutyl]-2,5-dichloroaniline
SMILESClc1ccc(Cl)c(NC2CC(c3cccc(Br)c3)C2)c1
InChIInChI=1S/C16H14BrCl2N/c17-12-3-1-2-10(6-12)11-7-14(8-11)20-16-9-13(18)4-5-15(16)19/h1-6,9,11,14,20H,7-8H2
InChIKeyUVBXZHPCCIBBSN-UHFFFAOYSA-N
XLogP6.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.11
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-[3-(3-bromophenyl)cyclobutyl]-2-chloroaniline
CID 43635239
N-[3-(3-bromophenyl)cyclobutyl]-4-chloro-3-fluoroaniline
CID 43721602
4-bromo-N-[3-(3-chlorophenyl)cyclobutyl]-2-fluoroaniline
CID 43633138
5-chloro-N-[3-(3-chlorophenyl)cyclobutyl]-2-fluoroaniline
CID 43635416
2-chloro-5-fluoro-N-[3-(3-fluorophenyl)cyclobutyl]aniline
CID 107527502
N-[3-(3-bromophenyl)cyclobutyl]-2,6-dichloro-4-fluoroaniline
CID 83078045
2,5-dichloro-N-[3-(4-methylphenyl)cyclobutyl]aniline
CID 43632803
4-[[3-(3-bromophenyl)cyclobutyl]amino]-2,6-dichlorophenol
CID 107678955
N-[3-(3-bromophenyl)cyclobutyl]-3,4-difluoroaniline
CID 43633363
2-bromo-N-[3-(3-bromophenyl)cyclobutyl]-5-fluoroaniline
CID 107632699
5-bromo-2-fluoro-N-[3-(3-methylphenyl)cyclobutyl]aniline
CID 43635637
2,6-dibromo-N-[3-(3-chlorophenyl)cyclobutyl]aniline
CID 107597455

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-bromophenyl)cyclobutyl]-2,5-dichloroaniline?
The IUPAC name of N-[3-(3-bromophenyl)cyclobutyl]-2,5-dichloroaniline (CID 43632805) is N-[3-(3-bromophenyl)cyclobutyl]-2,5-dichloroaniline.
What is the SMILES notation for N-[3-(3-bromophenyl)cyclobutyl]-2,5-dichloroaniline?
The canonical SMILES for N-[3-(3-bromophenyl)cyclobutyl]-2,5-dichloroaniline is Clc1ccc(Cl)c(NC2CC(c3cccc(Br)c3)C2)c1.
What is the InChIKey of N-[3-(3-bromophenyl)cyclobutyl]-2,5-dichloroaniline?
The InChIKey is UVBXZHPCCIBBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrCl2N/c17-12-3-1-2-10(6-12)11-7-14(8-11)20-16-9-13(18)4-5-15(16)19/h1-6,9,11,14,20H,7-8H2.
What are the key properties of N-[3-(3-bromophenyl)cyclobutyl]-2,5-dichloroaniline?
N-[3-(3-bromophenyl)cyclobutyl]-2,5-dichloroaniline has a molecular weight of 371.11 g/mol, XLogP of 6.11, 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]-2,5-dichloroaniline is sourced from PubChem (CID 43632805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).