2-amino-N-[4-bromo-2-(trifluoromethoxy)phenyl]pent-4-enamide

C12H12BrF3N2O2 — CID 103193279

IUPAC2-amino-N-[4-bromo-2-(trifluoromethoxy)phenyl]pent-4-enamide
SMILESC=CCC(N)C(=O)Nc1ccc(Br)cc1OC(F)(F)F
InChIInChI=1S/C12H12BrF3N2O2/c1-2-3-8(17)11(19)18-9-5-4-7(13)6-10(9)20-12(14,15)16/h2,4-6,8H,1,3,17H2,(H,18,19)
InChIKeyCYOUGTPUCUBTAW-UHFFFAOYSA-N
MW353.14 g/mol
LogP3.19
Rot. Bonds5

About 2-amino-N-[4-bromo-2-(trifluoromethoxy)phenyl]pent-4-enamide

2-amino-N-[4-bromo-2-(trifluoromethoxy)phenyl]pent-4-enamide (PubChem CID 103193279) has the molecular formula C12H12BrF3N2O2 and a molecular weight of 353.14 g/mol. Its IUPAC name is 2-amino-N-[4-bromo-2-(trifluoromethoxy)phenyl]pent-4-enamide.

Molecular Properties

Compound Name2-amino-N-[4-bromo-2-(trifluoromethoxy)phenyl]pent-4-enamide
PubChem CID103193279
Molecular FormulaC12H12BrF3N2O2
Molecular Weight353.14 g/mol
Exact Mass352.00
IUPAC Name2-amino-N-[4-bromo-2-(trifluoromethoxy)phenyl]pent-4-enamide
SMILESC=CCC(N)C(=O)Nc1ccc(Br)cc1OC(F)(F)F
InChIInChI=1S/C12H12BrF3N2O2/c1-2-3-8(17)11(19)18-9-5-4-7(13)6-10(9)20-12(14,15)16/h2,4-6,8H,1,3,17H2,(H,18,19)
InChIKeyCYOUGTPUCUBTAW-UHFFFAOYSA-N
XLogP3.19
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.14
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]butanamide
CID 103193041
2-amino-N-[4-bromo-2-(trifluoromethoxy)phenyl]-2-ethylbutanamide
CID 103193350
N-[4-bromo-2-(trifluoromethoxy)phenyl]-2-cyano-3-methylbutanamide
CID 103193410
3-amino-N-[4-bromo-2-(trifluoromethoxy)phenyl]hexanamide
CID 103193341
3-[[4-bromo-2-(trifluoromethoxy)phenyl]carbamoylamino]propanoic acid
CID 103193516
2-amino-N-(5-bromo-2,4-difluorophenyl)pent-4-enamide
CID 102853712
3-[4-bromo-2-(trifluoromethoxy)anilino]-2-methylpropanamide
CID 103193128
N-[4-bromo-2-(trifluoromethoxy)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103193670
1-[4-bromo-2-(trifluoromethoxy)phenyl]-3-(1,1,1,3,3-pentafluoro-2-methylbutan-2-yl)urea
CID 123231356
2-[4-bromo-2-(trifluoromethoxy)anilino]-N-propan-2-ylacetamide
CID 103193211
N-[4-bromo-2-(trifluoromethoxy)phenyl]-2-propoxyacetamide
CID 103275037
1-[4-bromo-2-(trifluoromethoxy)phenyl]-2-(2-methylpropyl)guanidine
CID 103193610

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-bromo-2-(trifluoromethoxy)phenyl]pent-4-enamide?
The IUPAC name of 2-amino-N-[4-bromo-2-(trifluoromethoxy)phenyl]pent-4-enamide (CID 103193279) is 2-amino-N-[4-bromo-2-(trifluoromethoxy)phenyl]pent-4-enamide.
What is the SMILES notation for 2-amino-N-[4-bromo-2-(trifluoromethoxy)phenyl]pent-4-enamide?
The canonical SMILES for 2-amino-N-[4-bromo-2-(trifluoromethoxy)phenyl]pent-4-enamide is C=CCC(N)C(=O)Nc1ccc(Br)cc1OC(F)(F)F.
What is the InChIKey of 2-amino-N-[4-bromo-2-(trifluoromethoxy)phenyl]pent-4-enamide?
The InChIKey is CYOUGTPUCUBTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrF3N2O2/c1-2-3-8(17)11(19)18-9-5-4-7(13)6-10(9)20-12(14,15)16/h2,4-6,8H,1,3,17H2,(H,18,19).
What are the key properties of 2-amino-N-[4-bromo-2-(trifluoromethoxy)phenyl]pent-4-enamide?
2-amino-N-[4-bromo-2-(trifluoromethoxy)phenyl]pent-4-enamide has a molecular weight of 353.14 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-bromo-2-(trifluoromethoxy)phenyl]pent-4-enamide is sourced from PubChem (CID 103193279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).