N-(3-bromo-2-methylpropyl)-2-(4-fluorophenyl)acetamide

C12H15BrFNO — CID 114313529

IUPACN-(3-bromo-2-methylpropyl)-2-(4-fluorophenyl)acetamide
SMILESCC(CBr)CNC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C12H15BrFNO/c1-9(7-13)8-15-12(16)6-10-2-4-11(14)5-3-10/h2-5,9H,6-8H2,1H3,(H,15,16)
InChIKeyUTDIBZMLHFUEDG-UHFFFAOYSA-N
MW288.16 g/mol
LogP2.52
Rot. Bonds5

About N-(3-bromo-2-methylpropyl)-2-(4-fluorophenyl)acetamide

N-(3-bromo-2-methylpropyl)-2-(4-fluorophenyl)acetamide (PubChem CID 114313529) has the molecular formula C12H15BrFNO and a molecular weight of 288.16 g/mol. Its IUPAC name is N-(3-bromo-2-methylpropyl)-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(3-bromo-2-methylpropyl)-2-(4-fluorophenyl)acetamide
PubChem CID114313529
Molecular FormulaC12H15BrFNO
Molecular Weight288.16 g/mol
Exact Mass287.03
IUPAC NameN-(3-bromo-2-methylpropyl)-2-(4-fluorophenyl)acetamide
SMILESCC(CBr)CNC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C12H15BrFNO/c1-9(7-13)8-15-12(16)6-10-2-4-11(14)5-3-10/h2-5,9H,6-8H2,1H3,(H,15,16)
InChIKeyUTDIBZMLHFUEDG-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(3-bromo-2-methylpropyl)-2-(4-fluorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-fluorophenyl)-N-(3-methyl-2-oxobutyl)acetamide
CID 64996810
methyl 3-[[2-(4-fluorophenyl)acetyl]amino]-2-hydroxypropanoate
CID 113344194
N-(1-bromo-4-methylpentan-2-yl)-2-(4-fluorophenyl)acetamide
CID 113275009
N-(2-chloro-3-ethylpentyl)-2-(4-fluorophenyl)acetamide
CID 106287581
2-(4-fluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide
CID 103861403
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(2-methylpropyl)acetamide
CID 51163743
N-(3-chloro-2-methylpropyl)-2-(4-methylphenyl)acetamide
CID 114302763
2-(4-fluorophenyl)-N-[(3R)-3-hydroxy-4,4-dimethylpentyl]acetamide
CID 95741027
2-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 4878219
N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-(4-fluorophenyl)acetamide
CID 7495843
N-(3-amino-2-methylpropyl)-2-[4-(2-methylpropyl)phenyl]acetamide
CID 115271670
N-(1-bromo-3-methoxypropan-2-yl)-2-(4-fluorophenyl)acetamide
CID 106184175

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-methylpropyl)-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-(3-bromo-2-methylpropyl)-2-(4-fluorophenyl)acetamide (CID 114313529) is N-(3-bromo-2-methylpropyl)-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-(3-bromo-2-methylpropyl)-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-(3-bromo-2-methylpropyl)-2-(4-fluorophenyl)acetamide is CC(CBr)CNC(=O)Cc1ccc(F)cc1.
What is the InChIKey of N-(3-bromo-2-methylpropyl)-2-(4-fluorophenyl)acetamide?
The InChIKey is UTDIBZMLHFUEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO/c1-9(7-13)8-15-12(16)6-10-2-4-11(14)5-3-10/h2-5,9H,6-8H2,1H3,(H,15,16).
What are the key properties of N-(3-bromo-2-methylpropyl)-2-(4-fluorophenyl)acetamide?
N-(3-bromo-2-methylpropyl)-2-(4-fluorophenyl)acetamide has a molecular weight of 288.16 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-methylpropyl)-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 114313529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).