N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-methylpropanamide

C12H15BrFNO — CID 48667671

IUPACN-[2-(5-bromo-2-fluorophenyl)ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCc1cc(Br)ccc1F
InChIInChI=1S/C12H15BrFNO/c1-8(2)12(16)15-6-5-9-7-10(13)3-4-11(9)14/h3-4,7-8H,5-6H2,1-2H3,(H,15,16)
InChIKeyYJXCWDQVFFGJLM-UHFFFAOYSA-N
MW288.16 g/mol
LogP2.90
Rot. Bonds4

About N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-methylpropanamide

N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-methylpropanamide (PubChem CID 48667671) has the molecular formula C12H15BrFNO and a molecular weight of 288.16 g/mol. Its IUPAC name is N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(5-bromo-2-fluorophenyl)ethyl]-2-methylpropanamide
PubChem CID48667671
Molecular FormulaC12H15BrFNO
Molecular Weight288.16 g/mol
Exact Mass287.03
IUPAC NameN-[2-(5-bromo-2-fluorophenyl)ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCc1cc(Br)ccc1F
InChIInChI=1S/C12H15BrFNO/c1-8(2)12(16)15-6-5-9-7-10(13)3-4-11(9)14/h3-4,7-8H,5-6H2,1-2H3,(H,15,16)
InChIKeyYJXCWDQVFFGJLM-UHFFFAOYSA-N
XLogP2.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-methylpropanamide (CID 48667671) is N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-methylpropanamide is CC(C)C(=O)NCCc1cc(Br)ccc1F.
What is the InChIKey of N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-methylpropanamide?
The InChIKey is YJXCWDQVFFGJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO/c1-8(2)12(16)15-6-5-9-7-10(13)3-4-11(9)14/h3-4,7-8H,5-6H2,1-2H3,(H,15,16).
What are the key properties of N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-methylpropanamide?
N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-methylpropanamide has a molecular weight of 288.16 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-methylpropanamide is sourced from PubChem (CID 48667671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).