4-bromo-2,3-dichloro-N-cyclobutylaniline

C10H10BrCl2N — CID 107787892

IUPAC4-bromo-2,3-dichloro-N-cyclobutylaniline
SMILESClc1c(Br)ccc(NC2CCC2)c1Cl
InChIInChI=1S/C10H10BrCl2N/c11-7-4-5-8(10(13)9(7)12)14-6-2-1-3-6/h4-6,14H,1-3H2
InChIKeyYGFVIOOTUNTTGB-UHFFFAOYSA-N
MW295.01 g/mol
LogP4.72
Rot. Bonds2

About 4-bromo-2,3-dichloro-N-cyclobutylaniline

4-bromo-2,3-dichloro-N-cyclobutylaniline (PubChem CID 107787892) has the molecular formula C10H10BrCl2N and a molecular weight of 295.01 g/mol. Its IUPAC name is 4-bromo-2,3-dichloro-N-cyclobutylaniline.

Molecular Properties

Compound Name4-bromo-2,3-dichloro-N-cyclobutylaniline
PubChem CID107787892
Molecular FormulaC10H10BrCl2N
Molecular Weight295.01 g/mol
Exact Mass292.94
IUPAC Name4-bromo-2,3-dichloro-N-cyclobutylaniline
SMILESClc1c(Br)ccc(NC2CCC2)c1Cl
InChIInChI=1S/C10H10BrCl2N/c11-7-4-5-8(10(13)9(7)12)14-6-2-1-3-6/h4-6,14H,1-3H2
InChIKeyYGFVIOOTUNTTGB-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.01
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,3-dichloro-N-cyclobutylaniline?
The IUPAC name of 4-bromo-2,3-dichloro-N-cyclobutylaniline (CID 107787892) is 4-bromo-2,3-dichloro-N-cyclobutylaniline.
What is the SMILES notation for 4-bromo-2,3-dichloro-N-cyclobutylaniline?
The canonical SMILES for 4-bromo-2,3-dichloro-N-cyclobutylaniline is Clc1c(Br)ccc(NC2CCC2)c1Cl.
What is the InChIKey of 4-bromo-2,3-dichloro-N-cyclobutylaniline?
The InChIKey is YGFVIOOTUNTTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrCl2N/c11-7-4-5-8(10(13)9(7)12)14-6-2-1-3-6/h4-6,14H,1-3H2.
What are the key properties of 4-bromo-2,3-dichloro-N-cyclobutylaniline?
4-bromo-2,3-dichloro-N-cyclobutylaniline has a molecular weight of 295.01 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,3-dichloro-N-cyclobutylaniline is sourced from PubChem (CID 107787892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).