2-chloro-N-[1-(2-fluorophenyl)-2-methylpropan-2-yl]acetamide

C12H15ClFNO — CID 82130304

IUPAC2-chloro-N-[1-(2-fluorophenyl)-2-methylpropan-2-yl]acetamide
SMILESCC(C)(Cc1ccccc1F)NC(=O)CCl
InChIInChI=1S/C12H15ClFNO/c1-12(2,15-11(16)8-13)7-9-5-3-4-6-10(9)14/h3-6H,7-8H2,1-2H3,(H,15,16)
InChIKeyMAIUUHOMKPXSPY-UHFFFAOYSA-N
MW243.71 g/mol
LogP2.50
Rot. Bonds4

About 2-chloro-N-[1-(2-fluorophenyl)-2-methylpropan-2-yl]acetamide

2-chloro-N-[1-(2-fluorophenyl)-2-methylpropan-2-yl]acetamide (PubChem CID 82130304) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is 2-chloro-N-[1-(2-fluorophenyl)-2-methylpropan-2-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[1-(2-fluorophenyl)-2-methylpropan-2-yl]acetamide
PubChem CID82130304
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC Name2-chloro-N-[1-(2-fluorophenyl)-2-methylpropan-2-yl]acetamide
SMILESCC(C)(Cc1ccccc1F)NC(=O)CCl
InChIInChI=1S/C12H15ClFNO/c1-12(2,15-11(16)8-13)7-9-5-3-4-6-10(9)14/h3-6H,7-8H2,1-2H3,(H,15,16)
InChIKeyMAIUUHOMKPXSPY-UHFFFAOYSA-N
XLogP2.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 52.50
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-chloro-N-(2-methyl-1-phenylpropan-2-yl)acetamide
CID 2784737
2-chloro-N-[1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl]acetamide
CID 23109639
N-(1-chloro-3-methylpentan-3-yl)-2-(2-fluorophenyl)acetamide
CID 114153124
2-(4-chloro-2-fluorophenyl)-N-(2-methyl-1-phenylpropan-2-yl)acetamide
CID 100626606
2-chloro-1-[(2-fluorophenyl)methyl-dimethylsilyl]ethanone
CID 151305361
N-(2,2-dimethylpropyl)-2-(2-fluorophenyl)acetamide
CID 110472861
[2-[(2-chloroacetyl)amino]-2-methylpropyl] 2-phenylacetate
CID 91568309
2-chloro-N-[4-(4-fluorophenyl)-2-methylbutan-2-yl]acetamide
CID 94692059
2-(tert-butylamino)-1-(2-fluorophenyl)-2,4,4-trimethylpentan-3-one
CID 71122525
2-(4-aminophenyl)-N-[2-methyl-1-(2-methylphenyl)propan-2-yl]acetamide
CID 119774393
N-(1-bromo-2-methylpropan-2-yl)-2-(2,3-difluorophenyl)acetamide
CID 114308202
3-(2-fluorophenyl)-2-(2-methoxyethylamino)-2-methylpropanoic acid
CID 114832173

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2-fluorophenyl)-2-methylpropan-2-yl]acetamide?
The IUPAC name of 2-chloro-N-[1-(2-fluorophenyl)-2-methylpropan-2-yl]acetamide (CID 82130304) is 2-chloro-N-[1-(2-fluorophenyl)-2-methylpropan-2-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[1-(2-fluorophenyl)-2-methylpropan-2-yl]acetamide?
The canonical SMILES for 2-chloro-N-[1-(2-fluorophenyl)-2-methylpropan-2-yl]acetamide is CC(C)(Cc1ccccc1F)NC(=O)CCl.
What is the InChIKey of 2-chloro-N-[1-(2-fluorophenyl)-2-methylpropan-2-yl]acetamide?
The InChIKey is MAIUUHOMKPXSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO/c1-12(2,15-11(16)8-13)7-9-5-3-4-6-10(9)14/h3-6H,7-8H2,1-2H3,(H,15,16).
What are the key properties of 2-chloro-N-[1-(2-fluorophenyl)-2-methylpropan-2-yl]acetamide?
2-chloro-N-[1-(2-fluorophenyl)-2-methylpropan-2-yl]acetamide has a molecular weight of 243.71 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(2-fluorophenyl)-2-methylpropan-2-yl]acetamide is sourced from PubChem (CID 82130304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).