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

C13H18BrNO — CID 114307554

IUPACN-(1-bromobutan-2-yl)-2-(2-methylphenyl)acetamide
SMILESCCC(CBr)NC(=O)Cc1ccccc1C
InChIInChI=1S/C13H18BrNO/c1-3-12(9-14)15-13(16)8-11-7-5-4-6-10(11)2/h4-7,12H,3,8-9H2,1-2H3,(H,15,16)
InChIKeySFNUBMBKDUZFQL-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.83
Rot. Bonds5

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

N-(1-bromobutan-2-yl)-2-(2-methylphenyl)acetamide (PubChem CID 114307554) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is N-(1-bromobutan-2-yl)-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(1-bromobutan-2-yl)-2-(2-methylphenyl)acetamide
PubChem CID114307554
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC NameN-(1-bromobutan-2-yl)-2-(2-methylphenyl)acetamide
SMILESCCC(CBr)NC(=O)Cc1ccccc1C
InChIInChI=1S/C13H18BrNO/c1-3-12(9-14)15-13(16)8-11-7-5-4-6-10(11)2/h4-7,12H,3,8-9H2,1-2H3,(H,15,16)
InChIKeySFNUBMBKDUZFQL-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-cyanobutan-2-yl)-2-(2-methylphenyl)acetamide
CID 62645818
N-(1-bromobutan-2-yl)-2-(4-methylphenyl)acetamide
CID 114307759
N-(1-bromobutan-2-yl)-2-(2,6-difluorophenyl)acetamide
CID 114307818
N-(1-aminohexan-2-yl)-2-(2-methylphenyl)acetamide
CID 80697183
N-(1-bromo-4-methylpentan-2-yl)-3-(2-methylphenyl)propanamide
CID 113274924
2-(2-methylphenyl)-N-(2,2,4-trimethylhexan-3-yl)acetamide
CID 58709449
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(2-methylphenyl)acetamide
CID 102673740
N-(1-amino-1-sulfanylidenebutan-2-yl)-2-(2-methylphenyl)acetamide
CID 61120290
2-(2-methylphenyl)-N-[2-(2-methylphenyl)acetyl]acetamide
CID 140983476
N-(1-cyanobutyl)-2-(2-methylphenyl)acetamide
CID 61119098
N-(1-hydroxybutan-2-yl)-2-(2-methylsulfanylphenyl)acetamide
CID 110466057
N-[1-(4-bromophenyl)ethyl]-2-(2-methylphenyl)acetamide
CID 47106591

Frequently Asked Questions

What is the IUPAC name of N-(1-bromobutan-2-yl)-2-(2-methylphenyl)acetamide?
The IUPAC name of N-(1-bromobutan-2-yl)-2-(2-methylphenyl)acetamide (CID 114307554) is N-(1-bromobutan-2-yl)-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-(1-bromobutan-2-yl)-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-(1-bromobutan-2-yl)-2-(2-methylphenyl)acetamide is CCC(CBr)NC(=O)Cc1ccccc1C.
What is the InChIKey of N-(1-bromobutan-2-yl)-2-(2-methylphenyl)acetamide?
The InChIKey is SFNUBMBKDUZFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-3-12(9-14)15-13(16)8-11-7-5-4-6-10(11)2/h4-7,12H,3,8-9H2,1-2H3,(H,15,16).
What are the key properties of N-(1-bromobutan-2-yl)-2-(2-methylphenyl)acetamide?
N-(1-bromobutan-2-yl)-2-(2-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-(2-methylphenyl)acetamide is sourced from PubChem (CID 114307554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).