N-[3-(2-bromophenyl)cyclobutyl]-2,4-dichloroaniline

C16H14BrCl2N — CID 43633020

IUPACN-[3-(2-bromophenyl)cyclobutyl]-2,4-dichloroaniline
SMILESClc1ccc(NC2CC(c3ccccc3Br)C2)c(Cl)c1
InChIInChI=1S/C16H14BrCl2N/c17-14-4-2-1-3-13(14)10-7-12(8-10)20-16-6-5-11(18)9-15(16)19/h1-6,9-10,12,20H,7-8H2
InChIKeyQVZDRVXIVWRXLO-UHFFFAOYSA-N
MW371.11 g/mol
LogP6.11
Rot. Bonds3

About N-[3-(2-bromophenyl)cyclobutyl]-2,4-dichloroaniline

N-[3-(2-bromophenyl)cyclobutyl]-2,4-dichloroaniline (PubChem CID 43633020) has the molecular formula C16H14BrCl2N and a molecular weight of 371.11 g/mol. Its IUPAC name is N-[3-(2-bromophenyl)cyclobutyl]-2,4-dichloroaniline.

Molecular Properties

Compound NameN-[3-(2-bromophenyl)cyclobutyl]-2,4-dichloroaniline
PubChem CID43633020
Molecular FormulaC16H14BrCl2N
Molecular Weight371.11 g/mol
Exact Mass368.97
IUPAC NameN-[3-(2-bromophenyl)cyclobutyl]-2,4-dichloroaniline
SMILESClc1ccc(NC2CC(c3ccccc3Br)C2)c(Cl)c1
InChIInChI=1S/C16H14BrCl2N/c17-14-4-2-1-3-13(14)10-7-12(8-10)20-16-6-5-11(18)9-15(16)19/h1-6,9-10,12,20H,7-8H2
InChIKeyQVZDRVXIVWRXLO-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

2-bromo-N-[3-(2-bromophenyl)cyclobutyl]-4-chloroaniline
CID 81262120
N-[3-(2-bromophenyl)cyclobutyl]-4-chloro-2-methylaniline
CID 43634088
2-bromo-N-[3-(2-bromophenyl)cyclobutyl]aniline
CID 43633521
N-[3-(2-bromophenyl)cyclobutyl]-2,5-dimethylaniline
CID 43634016
2,4,6-tribromo-N-[3-(2-bromophenyl)cyclobutyl]aniline
CID 63425206
5-chloro-2-fluoro-N-[3-(2-methylphenyl)cyclobutyl]aniline
CID 43635417
2-bromo-N-[3-(2-fluorophenyl)cyclobutyl]aniline
CID 43633514
3-bromo-N-[3-(2-chlorophenyl)cyclobutyl]-4-fluoroaniline
CID 104775924
3-(2-bromophenyl)-N-[(3-chlorophenyl)methyl]cyclobutan-1-amine
CID 63478374
4-chloro-2-[[3-(2-chlorophenyl)cyclobutyl]amino]benzonitrile
CID 43681675
4-bromo-2,5-difluoro-N-[3-(2-fluorophenyl)cyclobutyl]aniline
CID 107609598
2,4-dichloro-N-[3-(3-methoxyphenyl)cyclobutyl]aniline
CID 43633015

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-bromophenyl)cyclobutyl]-2,4-dichloroaniline?
The IUPAC name of N-[3-(2-bromophenyl)cyclobutyl]-2,4-dichloroaniline (CID 43633020) is N-[3-(2-bromophenyl)cyclobutyl]-2,4-dichloroaniline.
What is the SMILES notation for N-[3-(2-bromophenyl)cyclobutyl]-2,4-dichloroaniline?
The canonical SMILES for N-[3-(2-bromophenyl)cyclobutyl]-2,4-dichloroaniline is Clc1ccc(NC2CC(c3ccccc3Br)C2)c(Cl)c1.
What is the InChIKey of N-[3-(2-bromophenyl)cyclobutyl]-2,4-dichloroaniline?
The InChIKey is QVZDRVXIVWRXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrCl2N/c17-14-4-2-1-3-13(14)10-7-12(8-10)20-16-6-5-11(18)9-15(16)19/h1-6,9-10,12,20H,7-8H2.
What are the key properties of N-[3-(2-bromophenyl)cyclobutyl]-2,4-dichloroaniline?
N-[3-(2-bromophenyl)cyclobutyl]-2,4-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-(2-bromophenyl)cyclobutyl]-2,4-dichloroaniline is sourced from PubChem (CID 43633020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).