N-[3-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]prop-2-enyl]acetamide

C11H10ClF3N2O — CID 169466578

IUPACN-[3-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1cc(Cl)nc(C(F)(F)F)c1
InChIInChI=1S/C11H10ClF3N2O/c1-7(18)16-4-2-3-8-5-9(11(13,14)15)17-10(12)6-8/h2-3,5-6H,4H2,1H3,(H,16,18)
InChIKeyWXFCHMHACNUOQN-UHFFFAOYSA-N
MW278.66 g/mol
LogP2.90
Rot. Bonds3

About N-[3-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]prop-2-enyl]acetamide

N-[3-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]prop-2-enyl]acetamide (PubChem CID 169466578) has the molecular formula C11H10ClF3N2O and a molecular weight of 278.66 g/mol. Its IUPAC name is N-[3-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]prop-2-enyl]acetamide
PubChem CID169466578
Molecular FormulaC11H10ClF3N2O
Molecular Weight278.66 g/mol
Exact Mass278.04
IUPAC NameN-[3-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1cc(Cl)nc(C(F)(F)F)c1
InChIInChI=1S/C11H10ClF3N2O/c1-7(18)16-4-2-3-8-5-9(11(13,14)15)17-10(12)6-8/h2-3,5-6H,4H2,1H3,(H,16,18)
InChIKeyWXFCHMHACNUOQN-UHFFFAOYSA-N
XLogP2.90
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.66
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[3-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]prop-2-enyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]prop-2-enyl]acetamide?
The IUPAC name of N-[3-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]prop-2-enyl]acetamide (CID 169466578) is N-[3-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]prop-2-enyl]acetamide?
The canonical SMILES for N-[3-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]prop-2-enyl]acetamide is CC(=O)NCC=Cc1cc(Cl)nc(C(F)(F)F)c1.
What is the InChIKey of N-[3-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]prop-2-enyl]acetamide?
The InChIKey is WXFCHMHACNUOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N2O/c1-7(18)16-4-2-3-8-5-9(11(13,14)15)17-10(12)6-8/h2-3,5-6H,4H2,1H3,(H,16,18).
What are the key properties of N-[3-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]prop-2-enyl]acetamide?
N-[3-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]prop-2-enyl]acetamide has a molecular weight of 278.66 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]prop-2-enyl]acetamide is sourced from PubChem (CID 169466578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).