2-(4-tert-butylphenyl)-2-chloroacetamide

C12H16ClNO — CID 62226048

IUPAC2-(4-tert-butylphenyl)-2-chloroacetamide
SMILESCC(C)(C)c1ccc(C(Cl)C(N)=O)cc1
InChIInChI=1S/C12H16ClNO/c1-12(2,3)9-6-4-8(5-7-9)10(13)11(14)15/h4-7,10H,1-3H3,(H2,14,15)
InChIKeyHQXDRUSJODFVGY-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.75
Rot. Bonds2

About 2-(4-tert-butylphenyl)-2-chloroacetamide

2-(4-tert-butylphenyl)-2-chloroacetamide (PubChem CID 62226048) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-2-chloroacetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-2-chloroacetamide
PubChem CID62226048
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name2-(4-tert-butylphenyl)-2-chloroacetamide
SMILESCC(C)(C)c1ccc(C(Cl)C(N)=O)cc1
InChIInChI=1S/C12H16ClNO/c1-12(2,3)9-6-4-8(5-7-9)10(13)11(14)15/h4-7,10H,1-3H3,(H2,14,15)
InChIKeyHQXDRUSJODFVGY-UHFFFAOYSA-N
XLogP2.75
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.75
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

1-(4-tert-butylphenyl)-1-chlorobutan-2-one
CID 82161268
2-chloro-2-(4-methylsulfinylphenyl)acetamide
CID 70044998
2-(4-tert-butylphenyl)pentanamide
CID 10728355
3-(4-tert-butylphenyl)-3-chloropropanoic acid
CID 82366777
3-(4-tert-butylphenyl)-2-(4-fluorophenyl)propanamide
CID 68577173
2-(4-tert-butylphenyl)-2-hydroxyacetic acid
CID 20532744
1,2-bis(4-tert-butylphenyl)ethane-1,2-diol
CID 21199328
(2S)-2-amino-2-(4-tert-butylphenyl)-N,N-dimethylacetamide
CID 95180326
2-amino-2-(4-tert-butylphenyl)-N-methylacetamide
CID 83535922
3-(4-tert-butylphenyl)-2-hydroxypropanamide
CID 69343223
3-[bis(4-tert-butylphenyl)methyl]pentane-2,4-dione
CID 11838820
magnesium;2-(4-tert-butylphenyl)propanedioic acid;hydride
CID 174967969

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-2-chloroacetamide?
The IUPAC name of 2-(4-tert-butylphenyl)-2-chloroacetamide (CID 62226048) is 2-(4-tert-butylphenyl)-2-chloroacetamide.
What is the SMILES notation for 2-(4-tert-butylphenyl)-2-chloroacetamide?
The canonical SMILES for 2-(4-tert-butylphenyl)-2-chloroacetamide is CC(C)(C)c1ccc(C(Cl)C(N)=O)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-2-chloroacetamide?
The InChIKey is HQXDRUSJODFVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-12(2,3)9-6-4-8(5-7-9)10(13)11(14)15/h4-7,10H,1-3H3,(H2,14,15).
What are the key properties of 2-(4-tert-butylphenyl)-2-chloroacetamide?
2-(4-tert-butylphenyl)-2-chloroacetamide has a molecular weight of 225.72 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-2-chloroacetamide is sourced from PubChem (CID 62226048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).