N-[2-(2-bromo-5-chlorophenyl)ethyl]-2,2,2-trifluoro-N-prop-2-enylacetamide

C13H12BrClF3NO — CID 165145469

IUPACN-[2-(2-bromo-5-chlorophenyl)ethyl]-2,2,2-trifluoro-N-prop-2-enylacetamide
SMILESC=CCN(CCc1cc(Cl)ccc1Br)C(=O)C(F)(F)F
InChIInChI=1S/C13H12BrClF3NO/c1-2-6-19(12(20)13(16,17)18)7-5-9-8-10(15)3-4-11(9)14/h2-4,8H,1,5-7H2
InChIKeyIPGISICJPUEFJC-UHFFFAOYSA-N
MW370.60 g/mol
LogP4.22
Rot. Bonds5

About N-[2-(2-bromo-5-chlorophenyl)ethyl]-2,2,2-trifluoro-N-prop-2-enylacetamide

N-[2-(2-bromo-5-chlorophenyl)ethyl]-2,2,2-trifluoro-N-prop-2-enylacetamide (PubChem CID 165145469) has the molecular formula C13H12BrClF3NO and a molecular weight of 370.60 g/mol. Its IUPAC name is N-[2-(2-bromo-5-chlorophenyl)ethyl]-2,2,2-trifluoro-N-prop-2-enylacetamide.

Molecular Properties

Compound NameN-[2-(2-bromo-5-chlorophenyl)ethyl]-2,2,2-trifluoro-N-prop-2-enylacetamide
PubChem CID165145469
Molecular FormulaC13H12BrClF3NO
Molecular Weight370.60 g/mol
Exact Mass368.97
IUPAC NameN-[2-(2-bromo-5-chlorophenyl)ethyl]-2,2,2-trifluoro-N-prop-2-enylacetamide
SMILESC=CCN(CCc1cc(Cl)ccc1Br)C(=O)C(F)(F)F
InChIInChI=1S/C13H12BrClF3NO/c1-2-6-19(12(20)13(16,17)18)7-5-9-8-10(15)3-4-11(9)14/h2-4,8H,1,5-7H2
InChIKeyIPGISICJPUEFJC-UHFFFAOYSA-N
XLogP4.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.60
LogP ≤ 54.22
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-[2-(2-bromo-5-chlorophenyl)ethyl]-2,2,2-trifluoro-N-prop-2-enylacetamide?
The IUPAC name of N-[2-(2-bromo-5-chlorophenyl)ethyl]-2,2,2-trifluoro-N-prop-2-enylacetamide (CID 165145469) is N-[2-(2-bromo-5-chlorophenyl)ethyl]-2,2,2-trifluoro-N-prop-2-enylacetamide.
What is the SMILES notation for N-[2-(2-bromo-5-chlorophenyl)ethyl]-2,2,2-trifluoro-N-prop-2-enylacetamide?
The canonical SMILES for N-[2-(2-bromo-5-chlorophenyl)ethyl]-2,2,2-trifluoro-N-prop-2-enylacetamide is C=CCN(CCc1cc(Cl)ccc1Br)C(=O)C(F)(F)F.
What is the InChIKey of N-[2-(2-bromo-5-chlorophenyl)ethyl]-2,2,2-trifluoro-N-prop-2-enylacetamide?
The InChIKey is IPGISICJPUEFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClF3NO/c1-2-6-19(12(20)13(16,17)18)7-5-9-8-10(15)3-4-11(9)14/h2-4,8H,1,5-7H2.
What are the key properties of N-[2-(2-bromo-5-chlorophenyl)ethyl]-2,2,2-trifluoro-N-prop-2-enylacetamide?
N-[2-(2-bromo-5-chlorophenyl)ethyl]-2,2,2-trifluoro-N-prop-2-enylacetamide has a molecular weight of 370.60 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromo-5-chlorophenyl)ethyl]-2,2,2-trifluoro-N-prop-2-enylacetamide is sourced from PubChem (CID 165145469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).