N-(1-bromo-2-methylpropan-2-yl)-2-(3-methylphenyl)acetamide

C13H18BrNO — CID 114307937

IUPACN-(1-bromo-2-methylpropan-2-yl)-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NC(C)(C)CBr)c1
InChIInChI=1S/C13H18BrNO/c1-10-5-4-6-11(7-10)8-12(16)15-13(2,3)9-14/h4-7H,8-9H2,1-3H3,(H,15,16)
InChIKeyFZVCSSLCTDBGIW-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.83
Rot. Bonds4

About N-(1-bromo-2-methylpropan-2-yl)-2-(3-methylphenyl)acetamide

N-(1-bromo-2-methylpropan-2-yl)-2-(3-methylphenyl)acetamide (PubChem CID 114307937) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is N-(1-bromo-2-methylpropan-2-yl)-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(1-bromo-2-methylpropan-2-yl)-2-(3-methylphenyl)acetamide
PubChem CID114307937
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC NameN-(1-bromo-2-methylpropan-2-yl)-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NC(C)(C)CBr)c1
InChIInChI=1S/C13H18BrNO/c1-10-5-4-6-11(7-10)8-12(16)15-13(2,3)9-14/h4-7H,8-9H2,1-3H3,(H,15,16)
InChIKeyFZVCSSLCTDBGIW-UHFFFAOYSA-N
XLogP2.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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-bromo-2-methylpropan-2-yl)-2-phenylacetamide
CID 114307896
2-methyl-2-[[2-(3-methylphenyl)acetyl]amino]propanoic acid
CID 55068083
N-(1-bromo-2-methylpropan-2-yl)-2-(2,5-dimethylphenyl)acetamide
CID 114308151
2,2,3-trimethyl-3-[[2-(3-methylphenyl)acetyl]amino]butanoic acid
CID 65261339
N-(4-bromo-2,2-dimethylbutyl)-2-(3-methylphenyl)acetamide
CID 114149387
N-(3,5-dimethylphenyl)-2-(3-methylphenyl)acetamide
CID 11839743
methyl 2-methyl-2-[[2-(3-methylphenyl)acetyl]amino]pentanoate
CID 62388212
3-fluoro-3-methyl-1-(3-methylphenyl)butan-2-one
CID 130562184
2-(3-bromophenyl)-N-(2-methyl-1-phenylpropan-2-yl)acetamide
CID 100702626
N-(6-bromohexyl)-2-(3-methylphenyl)acetamide
CID 107847492
N-(4-hydroxy-2,2-dimethylbutyl)-2-(3-methylphenyl)acetamide
CID 103772365
N-[1-bromo-2-(bromomethyl)butan-2-yl]-3-(3-methylphenyl)propanamide
CID 107867835

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-2-methylpropan-2-yl)-2-(3-methylphenyl)acetamide?
The IUPAC name of N-(1-bromo-2-methylpropan-2-yl)-2-(3-methylphenyl)acetamide (CID 114307937) is N-(1-bromo-2-methylpropan-2-yl)-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-(1-bromo-2-methylpropan-2-yl)-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-(1-bromo-2-methylpropan-2-yl)-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)NC(C)(C)CBr)c1.
What is the InChIKey of N-(1-bromo-2-methylpropan-2-yl)-2-(3-methylphenyl)acetamide?
The InChIKey is FZVCSSLCTDBGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-10-5-4-6-11(7-10)8-12(16)15-13(2,3)9-14/h4-7H,8-9H2,1-3H3,(H,15,16).
What are the key properties of N-(1-bromo-2-methylpropan-2-yl)-2-(3-methylphenyl)acetamide?
N-(1-bromo-2-methylpropan-2-yl)-2-(3-methylphenyl)acetamide has a molecular weight of 284.20 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-2-methylpropan-2-yl)-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 114307937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).