N-(2-bromo-3-chlorophenyl)-2-cyclopent-2-en-1-ylacetamide

C13H13BrClNO — CID 103479839

IUPACN-(2-bromo-3-chlorophenyl)-2-cyclopent-2-en-1-ylacetamide
SMILESO=C(CC1C=CCC1)Nc1cccc(Cl)c1Br
InChIInChI=1S/C13H13BrClNO/c14-13-10(15)6-3-7-11(13)16-12(17)8-9-4-1-2-5-9/h1,3-4,6-7,9H,2,5,8H2,(H,16,17)
InChIKeyPGPKRRZRRZENFI-UHFFFAOYSA-N
MW314.61 g/mol
LogP4.40
Rot. Bonds3

About N-(2-bromo-3-chlorophenyl)-2-cyclopent-2-en-1-ylacetamide

N-(2-bromo-3-chlorophenyl)-2-cyclopent-2-en-1-ylacetamide (PubChem CID 103479839) has the molecular formula C13H13BrClNO and a molecular weight of 314.61 g/mol. Its IUPAC name is N-(2-bromo-3-chlorophenyl)-2-cyclopent-2-en-1-ylacetamide.

Molecular Properties

Compound NameN-(2-bromo-3-chlorophenyl)-2-cyclopent-2-en-1-ylacetamide
PubChem CID103479839
Molecular FormulaC13H13BrClNO
Molecular Weight314.61 g/mol
Exact Mass312.99
IUPAC NameN-(2-bromo-3-chlorophenyl)-2-cyclopent-2-en-1-ylacetamide
SMILESO=C(CC1C=CCC1)Nc1cccc(Cl)c1Br
InChIInChI=1S/C13H13BrClNO/c14-13-10(15)6-3-7-11(13)16-12(17)8-9-4-1-2-5-9/h1,3-4,6-7,9H,2,5,8H2,(H,16,17)
InChIKeyPGPKRRZRRZENFI-UHFFFAOYSA-N
XLogP4.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.61
LogP ≤ 54.40
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

2-[(1S)-cyclopent-2-en-1-yl]-N-(2,3-difluorophenyl)acetamide
CID 94813097
2-[(1R)-cyclopent-2-en-1-yl]-N-(2,3-difluorophenyl)acetamide
CID 94813098
N-(2-aminophenyl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 51714392
[2-(2,3-dichloroanilino)-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate
CID 9065484
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-bromo-3-chlorophenyl)acetamide
CID 103479368
N-(5-bromo-2-methylphenyl)-2-cyclopent-2-en-1-ylacetamide
CID 43806493
2-bromo-N-(2-bromo-3-chlorophenyl)acetamide
CID 103478721
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 9068938
N-(2-bromo-4-methylphenyl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 41037744
2-[(1S)-cyclopent-2-en-1-yl]-N-(2-methylsulfonylphenyl)acetamide
CID 51929140
N-(2-bromo-4-methylphenyl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide
CID 41037745
2-cyclopent-2-en-1-yl-N-(2-methyl-3-sulfamoylphenyl)acetamide
CID 47337033

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-chlorophenyl)-2-cyclopent-2-en-1-ylacetamide?
The IUPAC name of N-(2-bromo-3-chlorophenyl)-2-cyclopent-2-en-1-ylacetamide (CID 103479839) is N-(2-bromo-3-chlorophenyl)-2-cyclopent-2-en-1-ylacetamide.
What is the SMILES notation for N-(2-bromo-3-chlorophenyl)-2-cyclopent-2-en-1-ylacetamide?
The canonical SMILES for N-(2-bromo-3-chlorophenyl)-2-cyclopent-2-en-1-ylacetamide is O=C(CC1C=CCC1)Nc1cccc(Cl)c1Br.
What is the InChIKey of N-(2-bromo-3-chlorophenyl)-2-cyclopent-2-en-1-ylacetamide?
The InChIKey is PGPKRRZRRZENFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClNO/c14-13-10(15)6-3-7-11(13)16-12(17)8-9-4-1-2-5-9/h1,3-4,6-7,9H,2,5,8H2,(H,16,17).
What are the key properties of N-(2-bromo-3-chlorophenyl)-2-cyclopent-2-en-1-ylacetamide?
N-(2-bromo-3-chlorophenyl)-2-cyclopent-2-en-1-ylacetamide has a molecular weight of 314.61 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-chlorophenyl)-2-cyclopent-2-en-1-ylacetamide is sourced from PubChem (CID 103479839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).