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

C11H12BrClFNO — CID 103867699

IUPACN-(2-bromo-6-chloro-4-fluorophenyl)-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C11H12BrClFNO/c1-3-6(2)11(16)15-10-8(12)4-7(14)5-9(10)13/h4-6H,3H2,1-2H3,(H,15,16)
InChIKeyCNCSTQIJPOHMCQ-UHFFFAOYSA-N
MW308.58 g/mol
LogP4.23
Rot. Bonds3

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

N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylbutanamide (PubChem CID 103867699) has the molecular formula C11H12BrClFNO and a molecular weight of 308.58 g/mol. Its IUPAC name is N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylbutanamide.

Molecular Properties

Compound NameN-(2-bromo-6-chloro-4-fluorophenyl)-2-methylbutanamide
PubChem CID103867699
Molecular FormulaC11H12BrClFNO
Molecular Weight308.58 g/mol
Exact Mass306.98
IUPAC NameN-(2-bromo-6-chloro-4-fluorophenyl)-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C11H12BrClFNO/c1-3-6(2)11(16)15-10-8(12)4-7(14)5-9(10)13/h4-6H,3H2,1-2H3,(H,15,16)
InChIKeyCNCSTQIJPOHMCQ-UHFFFAOYSA-N
XLogP4.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.58
LogP ≤ 54.23
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)-2-methylbutanamide?
The IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylbutanamide (CID 103867699) is N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylbutanamide.
What is the SMILES notation for N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylbutanamide?
The canonical SMILES for N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylbutanamide is CCC(C)C(=O)Nc1c(Cl)cc(F)cc1Br.
What is the InChIKey of N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylbutanamide?
The InChIKey is CNCSTQIJPOHMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClFNO/c1-3-6(2)11(16)15-10-8(12)4-7(14)5-9(10)13/h4-6H,3H2,1-2H3,(H,15,16).
What are the key properties of N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylbutanamide?
N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylbutanamide has a molecular weight of 308.58 g/mol, XLogP of 4.23, 3 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)-2-methylbutanamide is sourced from PubChem (CID 103867699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).