N-(1-bromo-3-methoxypropan-2-yl)-2-(4-fluorophenyl)acetamide

C12H15BrFNO2 — CID 106184175

IUPACN-(1-bromo-3-methoxypropan-2-yl)-2-(4-fluorophenyl)acetamide
SMILESCOCC(CBr)NC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C12H15BrFNO2/c1-17-8-11(7-13)15-12(16)6-9-2-4-10(14)5-3-9/h2-5,11H,6-8H2,1H3,(H,15,16)
InChIKeyRMVNWDVSRDVQEF-UHFFFAOYSA-N
MW304.16 g/mol
LogP1.89
Rot. Bonds6

About N-(1-bromo-3-methoxypropan-2-yl)-2-(4-fluorophenyl)acetamide

N-(1-bromo-3-methoxypropan-2-yl)-2-(4-fluorophenyl)acetamide (PubChem CID 106184175) has the molecular formula C12H15BrFNO2 and a molecular weight of 304.16 g/mol. Its IUPAC name is N-(1-bromo-3-methoxypropan-2-yl)-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(1-bromo-3-methoxypropan-2-yl)-2-(4-fluorophenyl)acetamide
PubChem CID106184175
Molecular FormulaC12H15BrFNO2
Molecular Weight304.16 g/mol
Exact Mass303.03
IUPAC NameN-(1-bromo-3-methoxypropan-2-yl)-2-(4-fluorophenyl)acetamide
SMILESCOCC(CBr)NC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C12H15BrFNO2/c1-17-8-11(7-13)15-12(16)6-9-2-4-10(14)5-3-9/h2-5,11H,6-8H2,1H3,(H,15,16)
InChIKeyRMVNWDVSRDVQEF-UHFFFAOYSA-N
XLogP1.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.16
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(1-bromo-3-methoxypropan-2-yl)-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

N-(1-bromo-4-methylpentan-2-yl)-2-(4-fluorophenyl)acetamide
CID 113275009
N-(1-bromo-3-methoxypropan-2-yl)-2-(3,4-dimethoxyphenyl)acetamide
CID 106184806
N-(1-bromo-3-methoxypropan-2-yl)-3-(4-methoxyphenyl)propanamide
CID 114155384
N-(1-bromo-3-methoxypropan-2-yl)-2-(3-chlorophenyl)acetamide
CID 106184117
N-(4-bromo-1-methoxybutan-2-yl)-2-(2,4-difluorophenyl)acetamide
CID 114151318
3-(4-fluorophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide
CID 103799465
N-(1-bromo-4-methylpentan-2-yl)-2-(4-methoxyphenyl)acetamide
CID 114311652
N-(1-amino-3-methoxypropan-2-yl)-2-(3,4-difluorophenyl)acetamide
CID 106180111
N-(1-aminobutan-2-yl)-2-(4-fluorophenyl)acetamide
CID 63753722
N-(4-hydroxy-1-methoxybutan-2-yl)-2-(4-methylphenyl)acetamide
CID 103799183
N-(1-bromo-3-methoxypropan-2-yl)-5-methylfuran-2-carboxamide
CID 106184775
N-(4-amino-1-methoxybutan-2-yl)-2-(4-methoxyphenyl)acetamide
CID 106152212

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-3-methoxypropan-2-yl)-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-(1-bromo-3-methoxypropan-2-yl)-2-(4-fluorophenyl)acetamide (CID 106184175) is N-(1-bromo-3-methoxypropan-2-yl)-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-(1-bromo-3-methoxypropan-2-yl)-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-(1-bromo-3-methoxypropan-2-yl)-2-(4-fluorophenyl)acetamide is COCC(CBr)NC(=O)Cc1ccc(F)cc1.
What is the InChIKey of N-(1-bromo-3-methoxypropan-2-yl)-2-(4-fluorophenyl)acetamide?
The InChIKey is RMVNWDVSRDVQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO2/c1-17-8-11(7-13)15-12(16)6-9-2-4-10(14)5-3-9/h2-5,11H,6-8H2,1H3,(H,15,16).
What are the key properties of N-(1-bromo-3-methoxypropan-2-yl)-2-(4-fluorophenyl)acetamide?
N-(1-bromo-3-methoxypropan-2-yl)-2-(4-fluorophenyl)acetamide has a molecular weight of 304.16 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-3-methoxypropan-2-yl)-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 106184175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).