N-(2-bromo-4-methylphenyl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide

C14H16BrNO — CID 41037745

IUPACN-(2-bromo-4-methylphenyl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide
SMILESCc1ccc(NC(=O)C[C@@H]2C=CCC2)c(Br)c1
InChIInChI=1S/C14H16BrNO/c1-10-6-7-13(12(15)8-10)16-14(17)9-11-4-2-3-5-11/h2,4,6-8,11H,3,5,9H2,1H3,(H,16,17)/t11-/m1/s1
InChIKeyWTKZVHDBLRPLRA-LLVKDONJSA-N
MW294.19 g/mol
LogP4.05
Rot. Bonds3

About N-(2-bromo-4-methylphenyl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide

N-(2-bromo-4-methylphenyl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide (PubChem CID 41037745) has the molecular formula C14H16BrNO and a molecular weight of 294.19 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide
PubChem CID41037745
Molecular FormulaC14H16BrNO
Molecular Weight294.19 g/mol
Exact Mass293.04
IUPAC NameN-(2-bromo-4-methylphenyl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide
SMILESCc1ccc(NC(=O)C[C@@H]2C=CCC2)c(Br)c1
InChIInChI=1S/C14H16BrNO/c1-10-6-7-13(12(15)8-10)16-14(17)9-11-4-2-3-5-11/h2,4,6-8,11H,3,5,9H2,1H3,(H,16,17)/t11-/m1/s1
InChIKeyWTKZVHDBLRPLRA-LLVKDONJSA-N
XLogP4.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-4-methylphenyl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 41037744
N-(5-bromo-2-methylphenyl)-2-cyclopent-2-en-1-ylacetamide
CID 43806493
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-bromo-4-methylphenyl)acetamide
CID 11918994
N,N'-bis(2-bromo-4-methylphenyl)butanediamide
CID 1039655
2-cyclopent-2-en-1-yl-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide
CID 46551111
2-cyclopent-2-en-1-yl-N-[2-(7-hydroxyheptoxy)-5-methylphenyl]acetamide
CID 134875380
N-(4-acetamido-3-methylphenyl)-2-cyclopent-2-en-1-ylacetamide
CID 42945795
N-(2-bromo-3-chlorophenyl)-2-cyclopent-2-en-1-ylacetamide
CID 103479839
2-cyclopent-2-en-1-yl-N-(2-methyl-3-sulfamoylphenyl)acetamide
CID 47337033
2-[(1R)-cyclopent-2-en-1-yl]-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylacetamide
CID 9319185
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate
CID 9065420
N-(2-aminophenyl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 51714392

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide (CID 41037745) is N-(2-bromo-4-methylphenyl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide is Cc1ccc(NC(=O)C[C@@H]2C=CCC2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide?
The InChIKey is WTKZVHDBLRPLRA-LLVKDONJSA-N. The full InChI is InChI=1S/C14H16BrNO/c1-10-6-7-13(12(15)8-10)16-14(17)9-11-4-2-3-5-11/h2,4,6-8,11H,3,5,9H2,1H3,(H,16,17)/t11-/m1/s1.
What are the key properties of N-(2-bromo-4-methylphenyl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide?
N-(2-bromo-4-methylphenyl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide has a molecular weight of 294.19 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide is sourced from PubChem (CID 41037745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).