N-(2-benzyl-6-methylphenyl)-2-bromoacetamide

C16H16BrNO — CID 19694269

IUPACN-(2-benzyl-6-methylphenyl)-2-bromoacetamide
SMILESCc1cccc(Cc2ccccc2)c1NC(=O)CBr
InChIInChI=1S/C16H16BrNO/c1-12-6-5-9-14(16(12)18-15(19)11-17)10-13-7-3-2-4-8-13/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyWKWPDBDSMNZIDK-UHFFFAOYSA-N
MW318.21 g/mol
LogP3.92
Rot. Bonds4

About N-(2-benzyl-6-methylphenyl)-2-bromoacetamide

N-(2-benzyl-6-methylphenyl)-2-bromoacetamide (PubChem CID 19694269) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is N-(2-benzyl-6-methylphenyl)-2-bromoacetamide.

Molecular Properties

Compound NameN-(2-benzyl-6-methylphenyl)-2-bromoacetamide
PubChem CID19694269
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC NameN-(2-benzyl-6-methylphenyl)-2-bromoacetamide
SMILESCc1cccc(Cc2ccccc2)c1NC(=O)CBr
InChIInChI=1S/C16H16BrNO/c1-12-6-5-9-14(16(12)18-15(19)11-17)10-13-7-3-2-4-8-13/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyWKWPDBDSMNZIDK-UHFFFAOYSA-N
XLogP3.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 53.92
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-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-2-phenylacetamide
CID 112997001
2-benzyl-N-(2-ethyl-6-methylphenyl)benzamide
CID 7900260
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-phenylacetamide
CID 7676704
2-(3-bromophenyl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 100698808
2-[[2-(2-benzylphenoxy)acetyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 24680148
N'-(2-ethyl-6-methylphenyl)-N-(2-phenylethyl)propanediamide
CID 108947975
benzyl 4-(2-ethyl-6-methylanilino)-4-oxobutanoate
CID 924791
N-(2,6-dimethylphenyl)-2-(2-phenylethoxy)acetamide
CID 86871191
2-bromo-N-[2-methyl-6-(2-methylbutan-2-yl)phenyl]acetamide
CID 18630294
N-[3-[(2-bromoacetyl)amino]phenyl]-2-phenylacetamide
CID 46736705
1,1-dibenzyl-3-(2-ethyl-6-methylphenyl)urea
CID 3835143
N-(2-ethyl-6-methylphenyl)-2-[methylsulfonyl(3-phenylpropyl)amino]acetamide
CID 113152755

Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-6-methylphenyl)-2-bromoacetamide?
The IUPAC name of N-(2-benzyl-6-methylphenyl)-2-bromoacetamide (CID 19694269) is N-(2-benzyl-6-methylphenyl)-2-bromoacetamide.
What is the SMILES notation for N-(2-benzyl-6-methylphenyl)-2-bromoacetamide?
The canonical SMILES for N-(2-benzyl-6-methylphenyl)-2-bromoacetamide is Cc1cccc(Cc2ccccc2)c1NC(=O)CBr.
What is the InChIKey of N-(2-benzyl-6-methylphenyl)-2-bromoacetamide?
The InChIKey is WKWPDBDSMNZIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO/c1-12-6-5-9-14(16(12)18-15(19)11-17)10-13-7-3-2-4-8-13/h2-9H,10-11H2,1H3,(H,18,19).
What are the key properties of N-(2-benzyl-6-methylphenyl)-2-bromoacetamide?
N-(2-benzyl-6-methylphenyl)-2-bromoacetamide has a molecular weight of 318.21 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-6-methylphenyl)-2-bromoacetamide is sourced from PubChem (CID 19694269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).