N-(2-bromo-5-tert-butylphenyl)acetamide

C12H16BrNO — CID 146504103

IUPACN-(2-bromo-5-tert-butylphenyl)acetamide
SMILESCC(=O)Nc1cc(C(C)(C)C)ccc1Br
InChIInChI=1S/C12H16BrNO/c1-8(15)14-11-7-9(12(2,3)4)5-6-10(11)13/h5-7H,1-4H3,(H,14,15)
InChIKeyBVHJFJWUZYDDIC-UHFFFAOYSA-N
MW270.17 g/mol
LogP3.70
Rot. Bonds1

About N-(2-bromo-5-tert-butylphenyl)acetamide

N-(2-bromo-5-tert-butylphenyl)acetamide (PubChem CID 146504103) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is N-(2-bromo-5-tert-butylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-bromo-5-tert-butylphenyl)acetamide
PubChem CID146504103
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC NameN-(2-bromo-5-tert-butylphenyl)acetamide
SMILESCC(=O)Nc1cc(C(C)(C)C)ccc1Br
InChIInChI=1S/C12H16BrNO/c1-8(15)14-11-7-9(12(2,3)4)5-6-10(11)13/h5-7H,1-4H3,(H,14,15)
InChIKeyBVHJFJWUZYDDIC-UHFFFAOYSA-N
XLogP3.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-5-tert-butyl-N-methylaniline;hydrochloride
CID 167741746
2-acetamido-N-[2-bromo-5-(trifluoromethyl)phenyl]acetamide
CID 114042935
2-acetamido-5-tert-butylbenzoic acid
CID 42560637
N-(2-bromo-5-propan-2-ylphenyl)acetamide
CID 117060423
N-(2-bromo-4-tert-butylphenyl)-3-methylbut-2-enamide
CID 53268058
N-(2-bromo-5-tert-butyl-4-chlorophenyl)acetamide
CID 151119014
(2-acetamido-5-tert-butylphenyl)-chloromercury
CID 135052440
N,N'-bis(5-tert-butyl-2-hydroxyphenyl)oxamide
CID 10524086
N-(2-bromo-5-methylphenyl)-2-hydroxy-2-methylpropanamide
CID 103430310
4-bromo-3-[[4-[(2-bromo-5-carboxyphenyl)carbamoyl]benzoyl]amino]benzoic acid
CID 102504163
N-[2-bromo-5-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 114042936
N-[4-[(2-amino-2-methylpropyl)sulfamoyl]-2-bromophenyl]acetamide
CID 120711584

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-tert-butylphenyl)acetamide?
The IUPAC name of N-(2-bromo-5-tert-butylphenyl)acetamide (CID 146504103) is N-(2-bromo-5-tert-butylphenyl)acetamide.
What is the SMILES notation for N-(2-bromo-5-tert-butylphenyl)acetamide?
The canonical SMILES for N-(2-bromo-5-tert-butylphenyl)acetamide is CC(=O)Nc1cc(C(C)(C)C)ccc1Br.
What is the InChIKey of N-(2-bromo-5-tert-butylphenyl)acetamide?
The InChIKey is BVHJFJWUZYDDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-8(15)14-11-7-9(12(2,3)4)5-6-10(11)13/h5-7H,1-4H3,(H,14,15).
What are the key properties of N-(2-bromo-5-tert-butylphenyl)acetamide?
N-(2-bromo-5-tert-butylphenyl)acetamide has a molecular weight of 270.17 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-tert-butylphenyl)acetamide is sourced from PubChem (CID 146504103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).