N-(1-bromo-2-methylpropan-2-yl)-2-(2,5-dimethylphenyl)acetamide

C14H20BrNO — CID 114308151

IUPACN-(1-bromo-2-methylpropan-2-yl)-2-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(CC(=O)NC(C)(C)CBr)c1
InChIInChI=1S/C14H20BrNO/c1-10-5-6-11(2)12(7-10)8-13(17)16-14(3,4)9-15/h5-7H,8-9H2,1-4H3,(H,16,17)
InChIKeyZZRJQNCRKZPNIA-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.14
Rot. Bonds4

About N-(1-bromo-2-methylpropan-2-yl)-2-(2,5-dimethylphenyl)acetamide

N-(1-bromo-2-methylpropan-2-yl)-2-(2,5-dimethylphenyl)acetamide (PubChem CID 114308151) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is N-(1-bromo-2-methylpropan-2-yl)-2-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-(1-bromo-2-methylpropan-2-yl)-2-(2,5-dimethylphenyl)acetamide
PubChem CID114308151
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC NameN-(1-bromo-2-methylpropan-2-yl)-2-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(CC(=O)NC(C)(C)CBr)c1
InChIInChI=1S/C14H20BrNO/c1-10-5-6-11(2)12(7-10)8-13(17)16-14(3,4)9-15/h5-7H,8-9H2,1-4H3,(H,16,17)
InChIKeyZZRJQNCRKZPNIA-UHFFFAOYSA-N
XLogP3.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.14
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-(3-methylphenyl)acetamide
CID 114307937
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(2,5-dimethylphenyl)acetamide
CID 107845976
3-[[2-(2,5-dimethylphenyl)acetyl]amino]-2,2,3-trimethylbutanoic acid
CID 65261589
N-(1-bromo-2-methylpropan-2-yl)-2,4-dimethylbenzamide
CID 114307956
2-bromo-N-(1-bromo-2-methylpropan-2-yl)-5-methylbenzamide
CID 114308205
N-(1-bromo-2-methylpropan-2-yl)-2-phenylacetamide
CID 114307896
3-bromo-N-[(2,5-dimethylphenyl)methyl]propanamide
CID 82109130
(2S)-2-[[2-(2,5-dimethylphenyl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 62538832
N-(2,2-difluoro-3-hydroxypropyl)-2-(2,5-dimethylphenyl)acetamide
CID 113462787
2-(2,5-dimethylphenyl)-N-(2,4,6-trimethylphenyl)acetamide
CID 38020341
N-(2-bromoprop-2-enyl)-2-(2,5-dimethylphenyl)acetamide
CID 115609084
3-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]-3-methylbutanoic acid
CID 64670700

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-2-methylpropan-2-yl)-2-(2,5-dimethylphenyl)acetamide?
The IUPAC name of N-(1-bromo-2-methylpropan-2-yl)-2-(2,5-dimethylphenyl)acetamide (CID 114308151) is N-(1-bromo-2-methylpropan-2-yl)-2-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for N-(1-bromo-2-methylpropan-2-yl)-2-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for N-(1-bromo-2-methylpropan-2-yl)-2-(2,5-dimethylphenyl)acetamide is Cc1ccc(C)c(CC(=O)NC(C)(C)CBr)c1.
What is the InChIKey of N-(1-bromo-2-methylpropan-2-yl)-2-(2,5-dimethylphenyl)acetamide?
The InChIKey is ZZRJQNCRKZPNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-10-5-6-11(2)12(7-10)8-13(17)16-14(3,4)9-15/h5-7H,8-9H2,1-4H3,(H,16,17).
What are the key properties of N-(1-bromo-2-methylpropan-2-yl)-2-(2,5-dimethylphenyl)acetamide?
N-(1-bromo-2-methylpropan-2-yl)-2-(2,5-dimethylphenyl)acetamide has a molecular weight of 298.22 g/mol, XLogP of 3.14, 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-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 114308151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).