N-(5-bromo-2-methylphenyl)-2-cyclopent-2-en-1-ylacetamide

C14H16BrNO — CID 43806493

IUPACN-(5-bromo-2-methylphenyl)-2-cyclopent-2-en-1-ylacetamide
SMILESCc1ccc(Br)cc1NC(=O)CC1C=CCC1
InChIInChI=1S/C14H16BrNO/c1-10-6-7-12(15)9-13(10)16-14(17)8-11-4-2-3-5-11/h2,4,6-7,9,11H,3,5,8H2,1H3,(H,16,17)
InChIKeyCIVJVEWOAFDYHA-UHFFFAOYSA-N
MW294.19 g/mol
LogP4.05
Rot. Bonds3

About N-(5-bromo-2-methylphenyl)-2-cyclopent-2-en-1-ylacetamide

N-(5-bromo-2-methylphenyl)-2-cyclopent-2-en-1-ylacetamide (PubChem CID 43806493) has the molecular formula C14H16BrNO and a molecular weight of 294.19 g/mol. Its IUPAC name is N-(5-bromo-2-methylphenyl)-2-cyclopent-2-en-1-ylacetamide.

Molecular Properties

Compound NameN-(5-bromo-2-methylphenyl)-2-cyclopent-2-en-1-ylacetamide
PubChem CID43806493
Molecular FormulaC14H16BrNO
Molecular Weight294.19 g/mol
Exact Mass293.04
IUPAC NameN-(5-bromo-2-methylphenyl)-2-cyclopent-2-en-1-ylacetamide
SMILESCc1ccc(Br)cc1NC(=O)CC1C=CCC1
InChIInChI=1S/C14H16BrNO/c1-10-6-7-12(15)9-13(10)16-14(17)8-11-4-2-3-5-11/h2,4,6-7,9,11H,3,5,8H2,1H3,(H,16,17)
InChIKeyCIVJVEWOAFDYHA-UHFFFAOYSA-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-(2-bromo-4-methylphenyl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide
CID 41037745
3-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 47047691
2-[(1R)-cyclopent-2-en-1-yl]-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]acetamide
CID 52511276
N-(3-chloro-4-methylphenyl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide
CID 9068457
2-[(1R)-cyclopent-2-en-1-yl]-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylacetamide
CID 9319185
N-(4-acetamido-3-methylphenyl)-2-cyclopent-2-en-1-ylacetamide
CID 42945795
N-(2-bromo-4-methyl-3-pyridinyl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide
CID 97007964
N-(2-bromo-4-methyl-3-pyridinyl)-2-cyclopent-2-en-1-ylacetamide
CID 71849772
N-(2-bromo-3-chlorophenyl)-2-cyclopent-2-en-1-ylacetamide
CID 103479839
methyl 3-[[2-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]oxyacetyl]amino]-4-methylbenzoate
CID 9065797
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate
CID 9065420

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methylphenyl)-2-cyclopent-2-en-1-ylacetamide?
The IUPAC name of N-(5-bromo-2-methylphenyl)-2-cyclopent-2-en-1-ylacetamide (CID 43806493) is N-(5-bromo-2-methylphenyl)-2-cyclopent-2-en-1-ylacetamide.
What is the SMILES notation for N-(5-bromo-2-methylphenyl)-2-cyclopent-2-en-1-ylacetamide?
The canonical SMILES for N-(5-bromo-2-methylphenyl)-2-cyclopent-2-en-1-ylacetamide is Cc1ccc(Br)cc1NC(=O)CC1C=CCC1.
What is the InChIKey of N-(5-bromo-2-methylphenyl)-2-cyclopent-2-en-1-ylacetamide?
The InChIKey is CIVJVEWOAFDYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO/c1-10-6-7-12(15)9-13(10)16-14(17)8-11-4-2-3-5-11/h2,4,6-7,9,11H,3,5,8H2,1H3,(H,16,17).
What are the key properties of N-(5-bromo-2-methylphenyl)-2-cyclopent-2-en-1-ylacetamide?
N-(5-bromo-2-methylphenyl)-2-cyclopent-2-en-1-ylacetamide 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-(5-bromo-2-methylphenyl)-2-cyclopent-2-en-1-ylacetamide is sourced from PubChem (CID 43806493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).