N-[(5-bromo-2-fluorophenyl)methyl]-2-cyclopent-2-en-1-yl-N-methylacetamide

C15H17BrFNO — CID 75871924

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-2-cyclopent-2-en-1-yl-N-methylacetamide
SMILESCN(Cc1cc(Br)ccc1F)C(=O)CC1C=CCC1
InChIInChI=1S/C15H17BrFNO/c1-18(15(19)8-11-4-2-3-5-11)10-12-9-13(16)6-7-14(12)17/h2,4,6-7,9,11H,3,5,8,10H2,1H3
InChIKeyLWVGVZNMJJICJB-UHFFFAOYSA-N
MW326.21 g/mol
LogP3.90
Rot. Bonds4

About N-[(5-bromo-2-fluorophenyl)methyl]-2-cyclopent-2-en-1-yl-N-methylacetamide

N-[(5-bromo-2-fluorophenyl)methyl]-2-cyclopent-2-en-1-yl-N-methylacetamide (PubChem CID 75871924) has the molecular formula C15H17BrFNO and a molecular weight of 326.21 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-2-cyclopent-2-en-1-yl-N-methylacetamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-2-cyclopent-2-en-1-yl-N-methylacetamide
PubChem CID75871924
Molecular FormulaC15H17BrFNO
Molecular Weight326.21 g/mol
Exact Mass325.05
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-2-cyclopent-2-en-1-yl-N-methylacetamide
SMILESCN(Cc1cc(Br)ccc1F)C(=O)CC1C=CCC1
InChIInChI=1S/C15H17BrFNO/c1-18(15(19)8-11-4-2-3-5-11)10-12-9-13(16)6-7-14(12)17/h2,4,6-7,9,11H,3,5,8,10H2,1H3
InChIKeyLWVGVZNMJJICJB-UHFFFAOYSA-N
XLogP3.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.21
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-2-cyclopent-2-en-1-yl-N-methylacetamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-2-cyclopent-2-en-1-yl-N-methylacetamide (CID 75871924) is N-[(5-bromo-2-fluorophenyl)methyl]-2-cyclopent-2-en-1-yl-N-methylacetamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-2-cyclopent-2-en-1-yl-N-methylacetamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-2-cyclopent-2-en-1-yl-N-methylacetamide is CN(Cc1cc(Br)ccc1F)C(=O)CC1C=CCC1.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-2-cyclopent-2-en-1-yl-N-methylacetamide?
The InChIKey is LWVGVZNMJJICJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFNO/c1-18(15(19)8-11-4-2-3-5-11)10-12-9-13(16)6-7-14(12)17/h2,4,6-7,9,11H,3,5,8,10H2,1H3.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-2-cyclopent-2-en-1-yl-N-methylacetamide?
N-[(5-bromo-2-fluorophenyl)methyl]-2-cyclopent-2-en-1-yl-N-methylacetamide has a molecular weight of 326.21 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-2-cyclopent-2-en-1-yl-N-methylacetamide is sourced from PubChem (CID 75871924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).