N-(4-bromo-3-fluorophenyl)pent-4-enamide

C11H11BrFNO — CID 65429936

IUPACN-(4-bromo-3-fluorophenyl)pent-4-enamide
SMILESC=CCCC(=O)Nc1ccc(Br)c(F)c1
InChIInChI=1S/C11H11BrFNO/c1-2-3-4-11(15)14-8-5-6-9(12)10(13)7-8/h2,5-7H,1,3-4H2,(H,14,15)
InChIKeyYSPFUELEOZETCL-UHFFFAOYSA-N
MW272.12 g/mol
LogP3.49
Rot. Bonds4

About N-(4-bromo-3-fluorophenyl)pent-4-enamide

N-(4-bromo-3-fluorophenyl)pent-4-enamide (PubChem CID 65429936) has the molecular formula C11H11BrFNO and a molecular weight of 272.12 g/mol. Its IUPAC name is N-(4-bromo-3-fluorophenyl)pent-4-enamide.

Molecular Properties

Compound NameN-(4-bromo-3-fluorophenyl)pent-4-enamide
PubChem CID65429936
Molecular FormulaC11H11BrFNO
Molecular Weight272.12 g/mol
Exact Mass271.00
IUPAC NameN-(4-bromo-3-fluorophenyl)pent-4-enamide
SMILESC=CCCC(=O)Nc1ccc(Br)c(F)c1
InChIInChI=1S/C11H11BrFNO/c1-2-3-4-11(15)14-8-5-6-9(12)10(13)7-8/h2,5-7H,1,3-4H2,(H,14,15)
InChIKeyYSPFUELEOZETCL-UHFFFAOYSA-N
XLogP3.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.12
LogP ≤ 53.49
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-(4-bromo-3-fluorophenyl)-2-(prop-2-enylamino)acetamide
CID 79279349
N-(4-bromo-3-fluorophenyl)-5-chloropentanamide
CID 65436710
N-(4-bromo-3-fluorophenyl)octanamide
CID 65429012
N-(4-bromo-3-fluorophenyl)-4-methylpentanamide
CID 65437614
N-(4-bromo-3-fluorophenyl)-2-methylsulfonylacetamide
CID 65429192
6-[(4-bromo-3-fluorophenyl)carbamoylamino]-6-oxohexanoic acid
CID 65435210
N,N'-bis(3,4-difluorophenyl)butanediamide
CID 896186
1-(4-bromo-3-fluorophenyl)-3-(3,4-difluorophenyl)urea
CID 171854849
4-bromo-N-(4-bromo-3-fluorophenyl)-3-fluorobenzamide
CID 65435198
N-(3,4-difluorophenyl)-N'-hydroxyoctanediamide
CID 58624316
N-[3-(aminomethyl)phenyl]pent-4-enamide
CID 63254423
N-(4-bromo-3-fluorophenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 71283763

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-fluorophenyl)pent-4-enamide?
The IUPAC name of N-(4-bromo-3-fluorophenyl)pent-4-enamide (CID 65429936) is N-(4-bromo-3-fluorophenyl)pent-4-enamide.
What is the SMILES notation for N-(4-bromo-3-fluorophenyl)pent-4-enamide?
The canonical SMILES for N-(4-bromo-3-fluorophenyl)pent-4-enamide is C=CCCC(=O)Nc1ccc(Br)c(F)c1.
What is the InChIKey of N-(4-bromo-3-fluorophenyl)pent-4-enamide?
The InChIKey is YSPFUELEOZETCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFNO/c1-2-3-4-11(15)14-8-5-6-9(12)10(13)7-8/h2,5-7H,1,3-4H2,(H,14,15).
What are the key properties of N-(4-bromo-3-fluorophenyl)pent-4-enamide?
N-(4-bromo-3-fluorophenyl)pent-4-enamide has a molecular weight of 272.12 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-fluorophenyl)pent-4-enamide is sourced from PubChem (CID 65429936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).