2-bromo-N-(4-methylphenyl)acetamide;ethane

C11H16BrNO — CID 143583882

IUPAC2-bromo-N-(4-methylphenyl)acetamide;ethane
SMILESCC.Cc1ccc(NC(=O)CBr)cc1
InChIInChI=1S/C9H10BrNO.C2H6/c1-7-2-4-8(5-3-7)11-9(12)6-10;1-2/h2-5H,6H2,1H3,(H,11,12);1-2H3
InChIKeyFLKVCAYKXMDSBW-UHFFFAOYSA-N
MW258.16 g/mol
LogP3.35
Rot. Bonds2

About 2-bromo-N-(4-methylphenyl)acetamide;ethane

2-bromo-N-(4-methylphenyl)acetamide;ethane (PubChem CID 143583882) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 2-bromo-N-(4-methylphenyl)acetamide;ethane.

Molecular Properties

Compound Name2-bromo-N-(4-methylphenyl)acetamide;ethane
PubChem CID143583882
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name2-bromo-N-(4-methylphenyl)acetamide;ethane
SMILESCC.Cc1ccc(NC(=O)CBr)cc1
InChIInChI=1S/C9H10BrNO.C2H6/c1-7-2-4-8(5-3-7)11-9(12)6-10;1-2/h2-5H,6H2,1H3,(H,11,12);1-2H3
InChIKeyFLKVCAYKXMDSBW-UHFFFAOYSA-N
XLogP3.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 53.35
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

4-bromo-N-(4-methylphenyl)-3-oxobutanamide
CID 15567330
[4-[(2-bromoacetyl)amino]phenyl]carbamic acid
CID 18543497
2-bromo-N-[4-(carbamoylamino)phenyl]acetamide
CID 63680454
2-bromo-N-[4-[2-[4-[(2-bromoacetyl)amino]phenyl]propan-2-yl]phenyl]acetamide
CID 153321957
lead(2+);bis(2-(4-methylanilino)-2-oxoethanethiolate)
CID 6095733
methyl 4-[(2-bromoacetyl)amino]benzoate
CID 3416406
2-(diethylamino)-N-(4-methylphenyl)acetamide
CID 26382
ethane;N-(4-methylphenyl)butanamide;molecular hydrogen
CID 155712374
2-bromo-N-[4-(ethylsulfonylamino)phenyl]acetamide
CID 63679707
2-(diethylamino)-N-(4-methylphenyl)acetamide;hydrochloride
CID 138397911
1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoylamino]urea
CID 54178073
2-bromo-N-(4-methylphenyl)ethanethioamide
CID 22464911

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-methylphenyl)acetamide;ethane?
The IUPAC name of 2-bromo-N-(4-methylphenyl)acetamide;ethane (CID 143583882) is 2-bromo-N-(4-methylphenyl)acetamide;ethane.
What is the SMILES notation for 2-bromo-N-(4-methylphenyl)acetamide;ethane?
The canonical SMILES for 2-bromo-N-(4-methylphenyl)acetamide;ethane is CC.Cc1ccc(NC(=O)CBr)cc1.
What is the InChIKey of 2-bromo-N-(4-methylphenyl)acetamide;ethane?
The InChIKey is FLKVCAYKXMDSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO.C2H6/c1-7-2-4-8(5-3-7)11-9(12)6-10;1-2/h2-5H,6H2,1H3,(H,11,12);1-2H3.
What are the key properties of 2-bromo-N-(4-methylphenyl)acetamide;ethane?
2-bromo-N-(4-methylphenyl)acetamide;ethane has a molecular weight of 258.16 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-methylphenyl)acetamide;ethane is sourced from PubChem (CID 143583882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).