N-(4-bromobutan-2-yl)-2-(3-fluorophenyl)acetamide

C12H15BrFNO — CID 83180361

IUPACN-(4-bromobutan-2-yl)-2-(3-fluorophenyl)acetamide
SMILESCC(CCBr)NC(=O)Cc1cccc(F)c1
InChIInChI=1S/C12H15BrFNO/c1-9(5-6-13)15-12(16)8-10-3-2-4-11(14)7-10/h2-4,7,9H,5-6,8H2,1H3,(H,15,16)
InChIKeyLUBHFDKZMPIZCZ-UHFFFAOYSA-N
MW288.16 g/mol
LogP2.66
Rot. Bonds5

About N-(4-bromobutan-2-yl)-2-(3-fluorophenyl)acetamide

N-(4-bromobutan-2-yl)-2-(3-fluorophenyl)acetamide (PubChem CID 83180361) has the molecular formula C12H15BrFNO and a molecular weight of 288.16 g/mol. Its IUPAC name is N-(4-bromobutan-2-yl)-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(4-bromobutan-2-yl)-2-(3-fluorophenyl)acetamide
PubChem CID83180361
Molecular FormulaC12H15BrFNO
Molecular Weight288.16 g/mol
Exact Mass287.03
IUPAC NameN-(4-bromobutan-2-yl)-2-(3-fluorophenyl)acetamide
SMILESCC(CCBr)NC(=O)Cc1cccc(F)c1
InChIInChI=1S/C12H15BrFNO/c1-9(5-6-13)15-12(16)8-10-3-2-4-11(14)7-10/h2-4,7,9H,5-6,8H2,1H3,(H,15,16)
InChIKeyLUBHFDKZMPIZCZ-UHFFFAOYSA-N
XLogP2.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 52.66
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

2-(3-fluorophenyl)-N-[(2S)-pentan-2-yl]acetamide
CID 92647594
2-(3-fluorophenyl)-N-(1-hydroxypropan-2-yl)acetamide
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N-(4-amino-4-sulfanylidenebutan-2-yl)-2-(3-fluorophenyl)acetamide
CID 62092603
N-[1-(2-chlorophenyl)propan-2-yl]-2-(3-fluorophenyl)acetamide
CID 42961637
2-(3-fluorophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79255031
N-[2-(2-bromoethyl)pentyl]-2-(3-fluorophenyl)acetamide
CID 106118115
N-(1,1-diphenylpropan-2-yl)-2-(3-fluorophenyl)acetamide
CID 46436394
(3S)-3-[[2-(3-fluorophenyl)acetyl]amino]hexanoic acid
CID 97328206
N-(1-cyanopropyl)-2-(3-fluorophenyl)acetamide
CID 61119665
N-[1-(3-chlorophenyl)ethyl]-2-(3-fluorophenyl)acetamide
CID 42905870
ethane;2-(3-fluorophenyl)-N-(methylcarbamothioyl)acetamide
CID 143768641
2-(3-bromophenyl)-N-[(2R)-pentan-2-yl]acetamide
CID 100699011

Frequently Asked Questions

What is the IUPAC name of N-(4-bromobutan-2-yl)-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-(4-bromobutan-2-yl)-2-(3-fluorophenyl)acetamide (CID 83180361) is N-(4-bromobutan-2-yl)-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-(4-bromobutan-2-yl)-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-(4-bromobutan-2-yl)-2-(3-fluorophenyl)acetamide is CC(CCBr)NC(=O)Cc1cccc(F)c1.
What is the InChIKey of N-(4-bromobutan-2-yl)-2-(3-fluorophenyl)acetamide?
The InChIKey is LUBHFDKZMPIZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO/c1-9(5-6-13)15-12(16)8-10-3-2-4-11(14)7-10/h2-4,7,9H,5-6,8H2,1H3,(H,15,16).
What are the key properties of N-(4-bromobutan-2-yl)-2-(3-fluorophenyl)acetamide?
N-(4-bromobutan-2-yl)-2-(3-fluorophenyl)acetamide has a molecular weight of 288.16 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromobutan-2-yl)-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 83180361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).