N-(5-bromopentan-2-yl)-2-(2-fluorophenyl)acetamide

C13H17BrFNO — CID 114316527

IUPACN-(5-bromopentan-2-yl)-2-(2-fluorophenyl)acetamide
SMILESCC(CCCBr)NC(=O)Cc1ccccc1F
InChIInChI=1S/C13H17BrFNO/c1-10(5-4-8-14)16-13(17)9-11-6-2-3-7-12(11)15/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,16,17)
InChIKeyIJTASVNZKJHELS-UHFFFAOYSA-N
MW302.19 g/mol
LogP3.05
Rot. Bonds6

About N-(5-bromopentan-2-yl)-2-(2-fluorophenyl)acetamide

N-(5-bromopentan-2-yl)-2-(2-fluorophenyl)acetamide (PubChem CID 114316527) has the molecular formula C13H17BrFNO and a molecular weight of 302.19 g/mol. Its IUPAC name is N-(5-bromopentan-2-yl)-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(5-bromopentan-2-yl)-2-(2-fluorophenyl)acetamide
PubChem CID114316527
Molecular FormulaC13H17BrFNO
Molecular Weight302.19 g/mol
Exact Mass301.05
IUPAC NameN-(5-bromopentan-2-yl)-2-(2-fluorophenyl)acetamide
SMILESCC(CCCBr)NC(=O)Cc1ccccc1F
InChIInChI=1S/C13H17BrFNO/c1-10(5-4-8-14)16-13(17)9-11-6-2-3-7-12(11)15/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,16,17)
InChIKeyIJTASVNZKJHELS-UHFFFAOYSA-N
XLogP3.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-aminobutan-2-yl)-2-(2-fluorophenyl)acetamide
CID 62093310
N-[(2R)-butan-2-yl]-2-(2-fluorophenyl)acetamide
CID 94102090
2-(2-fluorophenyl)-N-(3-methylbutan-2-yl)acetamide
CID 78799919
N-[(2S)-1-aminopropan-2-yl]-2-(2-fluorophenyl)acetamide;hydrochloride
CID 120506125
(2R)-2-[[2-(2-fluorophenyl)acetyl]amino]propanoic acid
CID 30120740
5-[[2-(2,3-difluorophenyl)acetyl]amino]hexanoic acid
CID 82855066
3-[[2-(2-fluorophenyl)acetyl]amino]-2-methyl-3-phenylpropanoic acid
CID 75513395
2-(2-fluorophenyl)-N-(2-methyl-1-phenylpropyl)acetamide
CID 84915033
3-(2-fluorophenyl)-N-[(2R)-pentan-2-yl]propanamide
CID 94133800
2-(2-fluorophenyl)-N-[1-(2-methylphenyl)ethyl]acetamide
CID 18082306
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 7733439
(2R)-2-[[2-(2-fluorophenyl)acetyl]amino]-4-methylpentanoic acid
CID 30115441

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopentan-2-yl)-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-(5-bromopentan-2-yl)-2-(2-fluorophenyl)acetamide (CID 114316527) is N-(5-bromopentan-2-yl)-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-(5-bromopentan-2-yl)-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-(5-bromopentan-2-yl)-2-(2-fluorophenyl)acetamide is CC(CCCBr)NC(=O)Cc1ccccc1F.
What is the InChIKey of N-(5-bromopentan-2-yl)-2-(2-fluorophenyl)acetamide?
The InChIKey is IJTASVNZKJHELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO/c1-10(5-4-8-14)16-13(17)9-11-6-2-3-7-12(11)15/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,16,17).
What are the key properties of N-(5-bromopentan-2-yl)-2-(2-fluorophenyl)acetamide?
N-(5-bromopentan-2-yl)-2-(2-fluorophenyl)acetamide has a molecular weight of 302.19 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopentan-2-yl)-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 114316527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).