2-(4-bromo-2-fluorophenyl)-N-tert-butyl-2-chloroacetamide

C12H14BrClFNO — CID 62226278

IUPAC2-(4-bromo-2-fluorophenyl)-N-tert-butyl-2-chloroacetamide
SMILESCC(C)(C)NC(=O)C(Cl)c1ccc(Br)cc1F
InChIInChI=1S/C12H14BrClFNO/c1-12(2,3)16-11(17)10(14)8-5-4-7(13)6-9(8)15/h4-6,10H,1-3H3,(H,16,17)
InChIKeyZQCFZWXTBVASNC-UHFFFAOYSA-N
MW322.61 g/mol
LogP3.78
Rot. Bonds2

About 2-(4-bromo-2-fluorophenyl)-N-tert-butyl-2-chloroacetamide

2-(4-bromo-2-fluorophenyl)-N-tert-butyl-2-chloroacetamide (PubChem CID 62226278) has the molecular formula C12H14BrClFNO and a molecular weight of 322.61 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-N-tert-butyl-2-chloroacetamide.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-N-tert-butyl-2-chloroacetamide
PubChem CID62226278
Molecular FormulaC12H14BrClFNO
Molecular Weight322.61 g/mol
Exact Mass320.99
IUPAC Name2-(4-bromo-2-fluorophenyl)-N-tert-butyl-2-chloroacetamide
SMILESCC(C)(C)NC(=O)C(Cl)c1ccc(Br)cc1F
InChIInChI=1S/C12H14BrClFNO/c1-12(2,3)16-11(17)10(14)8-5-4-7(13)6-9(8)15/h4-6,10H,1-3H3,(H,16,17)
InChIKeyZQCFZWXTBVASNC-UHFFFAOYSA-N
XLogP3.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.61
LogP ≤ 53.78
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-(4-bromo-2-fluorophenyl)-2-chloro-N-propan-2-ylacetamide
CID 62226447
2-(4-bromo-2-fluorophenyl)-2-hydroxy-N-methylacetamide
CID 67223969
3-(4-bromo-2-fluorophenyl)-3-hydroxy-2,2-dimethylpropanoic acid
CID 62398266
methyl (3S)-3-amino-3-(4-bromo-2-fluorophenyl)-2,2-dimethylpropanoate;hydrochloride
CID 171239335
2-(4-bromothiophen-2-yl)-N-tert-butyl-2-chloroacetamide
CID 62224603
(1S)-1-(4-bromo-2-fluorophenyl)-2-methylpropan-1-ol
CID 129371245
2-(4-bromo-2-fluorophenyl)-2-chloro-1-piperidin-1-ylethanone
CID 62224634
2-(4-bromo-2-fluorophenyl)-2-hydroxyacetamide
CID 62225649
2-(4-bromo-2-fluorophenyl)propanoic acid
CID 67119220
N-tert-butyl-2-chloro-2-(2-methoxyphenyl)acetamide
CID 62224063
ethyl 3-(4-bromo-2-fluorophenyl)-3-hydroxy-2,2-dimethylpropanoate
CID 62399012
4-bromo-1-[(4-tert-butylphenyl)-chloromethyl]-2-fluorobenzene
CID 63431865

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-N-tert-butyl-2-chloroacetamide?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-N-tert-butyl-2-chloroacetamide (CID 62226278) is 2-(4-bromo-2-fluorophenyl)-N-tert-butyl-2-chloroacetamide.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-N-tert-butyl-2-chloroacetamide?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-N-tert-butyl-2-chloroacetamide is CC(C)(C)NC(=O)C(Cl)c1ccc(Br)cc1F.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-N-tert-butyl-2-chloroacetamide?
The InChIKey is ZQCFZWXTBVASNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClFNO/c1-12(2,3)16-11(17)10(14)8-5-4-7(13)6-9(8)15/h4-6,10H,1-3H3,(H,16,17).
What are the key properties of 2-(4-bromo-2-fluorophenyl)-N-tert-butyl-2-chloroacetamide?
2-(4-bromo-2-fluorophenyl)-N-tert-butyl-2-chloroacetamide has a molecular weight of 322.61 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-N-tert-butyl-2-chloroacetamide is sourced from PubChem (CID 62226278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).