N-(2-bromo-6-chloro-4-fluorophenyl)cyclobutanecarboxamide

C11H10BrClFNO — CID 103867767

IUPACN-(2-bromo-6-chloro-4-fluorophenyl)cyclobutanecarboxamide
SMILESO=C(Nc1c(Cl)cc(F)cc1Br)C1CCC1
InChIInChI=1S/C11H10BrClFNO/c12-8-4-7(14)5-9(13)10(8)15-11(16)6-2-1-3-6/h4-6H,1-3H2,(H,15,16)
InChIKeySWXRJNGLLUICGU-UHFFFAOYSA-N
MW306.56 g/mol
LogP3.98
Rot. Bonds2

About N-(2-bromo-6-chloro-4-fluorophenyl)cyclobutanecarboxamide

N-(2-bromo-6-chloro-4-fluorophenyl)cyclobutanecarboxamide (PubChem CID 103867767) has the molecular formula C11H10BrClFNO and a molecular weight of 306.56 g/mol. Its IUPAC name is N-(2-bromo-6-chloro-4-fluorophenyl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(2-bromo-6-chloro-4-fluorophenyl)cyclobutanecarboxamide
PubChem CID103867767
Molecular FormulaC11H10BrClFNO
Molecular Weight306.56 g/mol
Exact Mass304.96
IUPAC NameN-(2-bromo-6-chloro-4-fluorophenyl)cyclobutanecarboxamide
SMILESO=C(Nc1c(Cl)cc(F)cc1Br)C1CCC1
InChIInChI=1S/C11H10BrClFNO/c12-8-4-7(14)5-9(13)10(8)15-11(16)6-2-1-3-6/h4-6H,1-3H2,(H,15,16)
InChIKeySWXRJNGLLUICGU-UHFFFAOYSA-N
XLogP3.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.56
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)cyclobutanecarboxamide?
The IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)cyclobutanecarboxamide (CID 103867767) is N-(2-bromo-6-chloro-4-fluorophenyl)cyclobutanecarboxamide.
What is the SMILES notation for N-(2-bromo-6-chloro-4-fluorophenyl)cyclobutanecarboxamide?
The canonical SMILES for N-(2-bromo-6-chloro-4-fluorophenyl)cyclobutanecarboxamide is O=C(Nc1c(Cl)cc(F)cc1Br)C1CCC1.
What is the InChIKey of N-(2-bromo-6-chloro-4-fluorophenyl)cyclobutanecarboxamide?
The InChIKey is SWXRJNGLLUICGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClFNO/c12-8-4-7(14)5-9(13)10(8)15-11(16)6-2-1-3-6/h4-6H,1-3H2,(H,15,16).
What are the key properties of N-(2-bromo-6-chloro-4-fluorophenyl)cyclobutanecarboxamide?
N-(2-bromo-6-chloro-4-fluorophenyl)cyclobutanecarboxamide has a molecular weight of 306.56 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-chloro-4-fluorophenyl)cyclobutanecarboxamide is sourced from PubChem (CID 103867767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).