N-(1-bromobutan-2-yl)-2-(4-methylphenyl)acetamide

C13H18BrNO — CID 114307759

IUPACN-(1-bromobutan-2-yl)-2-(4-methylphenyl)acetamide
SMILESCCC(CBr)NC(=O)Cc1ccc(C)cc1
InChIInChI=1S/C13H18BrNO/c1-3-12(9-14)15-13(16)8-11-6-4-10(2)5-7-11/h4-7,12H,3,8-9H2,1-2H3,(H,15,16)
InChIKeyCFOWMKXJIOTEEF-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.83
Rot. Bonds5

About N-(1-bromobutan-2-yl)-2-(4-methylphenyl)acetamide

N-(1-bromobutan-2-yl)-2-(4-methylphenyl)acetamide (PubChem CID 114307759) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is N-(1-bromobutan-2-yl)-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(1-bromobutan-2-yl)-2-(4-methylphenyl)acetamide
PubChem CID114307759
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC NameN-(1-bromobutan-2-yl)-2-(4-methylphenyl)acetamide
SMILESCCC(CBr)NC(=O)Cc1ccc(C)cc1
InChIInChI=1S/C13H18BrNO/c1-3-12(9-14)15-13(16)8-11-6-4-10(2)5-7-11/h4-7,12H,3,8-9H2,1-2H3,(H,15,16)
InChIKeyCFOWMKXJIOTEEF-UHFFFAOYSA-N
XLogP2.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.83
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

N-(1-bromobutan-2-yl)-2-(2-methylphenyl)acetamide
CID 114307554
N-(1-bromobutan-2-yl)-2-(2,6-difluorophenyl)acetamide
CID 114307818
N-(1-bromobutan-2-yl)-2-(3-methoxyphenyl)acetamide
CID 114307701
N-(1-bromo-4-methylpentan-2-yl)-2-(4-fluorophenyl)acetamide
CID 113275009
N-(1-bromo-3-phenylpropan-2-yl)-2-phenylacetamide
CID 114311192
N-(1-aminobutan-2-yl)-2-(4-hydroxyphenyl)acetamide
CID 65193879
N-(1-bromo-4-methylpentan-2-yl)-2-(4-methoxyphenyl)acetamide
CID 114311652
N-(1-bromo-4,4-dimethylpentan-3-yl)-2-(4-methylphenyl)acetamide
CID 106356267
N-[(2R)-1-(4-methylphenyl)butan-2-yl]acetamide
CID 96567688
N-[(2S)-1-(4-methylphenyl)butan-2-yl]acetamide
CID 96567687
N-(1-aminobutan-2-yl)-2-(4-fluorophenyl)acetamide
CID 63753722
N-(4-hydroxy-1-methoxybutan-2-yl)-2-(4-methylphenyl)acetamide
CID 103799183

Frequently Asked Questions

What is the IUPAC name of N-(1-bromobutan-2-yl)-2-(4-methylphenyl)acetamide?
The IUPAC name of N-(1-bromobutan-2-yl)-2-(4-methylphenyl)acetamide (CID 114307759) is N-(1-bromobutan-2-yl)-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-(1-bromobutan-2-yl)-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-(1-bromobutan-2-yl)-2-(4-methylphenyl)acetamide is CCC(CBr)NC(=O)Cc1ccc(C)cc1.
What is the InChIKey of N-(1-bromobutan-2-yl)-2-(4-methylphenyl)acetamide?
The InChIKey is CFOWMKXJIOTEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-3-12(9-14)15-13(16)8-11-6-4-10(2)5-7-11/h4-7,12H,3,8-9H2,1-2H3,(H,15,16).
What are the key properties of N-(1-bromobutan-2-yl)-2-(4-methylphenyl)acetamide?
N-(1-bromobutan-2-yl)-2-(4-methylphenyl)acetamide has a molecular weight of 284.20 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromobutan-2-yl)-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 114307759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).