2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N,N-bis(prop-2-enyl)acetamide

C14H14ClF3N2O2 — CID 9119798

IUPAC2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O
InChIInChI=1S/C14H14ClF3N2O2/c1-3-5-19(6-4-2)12(21)9-20-8-10(14(16,17)18)7-11(15)13(20)22/h3-4,7-8H,1-2,5-6,9H2
InChIKeyHXWZGCYNJDFUHU-UHFFFAOYSA-N
MW334.73 g/mol
LogP2.72
Rot. Bonds6

About 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N,N-bis(prop-2-enyl)acetamide

2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N,N-bis(prop-2-enyl)acetamide (PubChem CID 9119798) has the molecular formula C14H14ClF3N2O2 and a molecular weight of 334.73 g/mol. Its IUPAC name is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N,N-bis(prop-2-enyl)acetamide.

Molecular Properties

Compound Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N,N-bis(prop-2-enyl)acetamide
PubChem CID9119798
Molecular FormulaC14H14ClF3N2O2
Molecular Weight334.73 g/mol
Exact Mass334.07
IUPAC Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O
InChIInChI=1S/C14H14ClF3N2O2/c1-3-5-19(6-4-2)12(21)9-20-8-10(14(16,17)18)7-11(15)13(20)22/h3-4,7-8H,1-2,5-6,9H2
InChIKeyHXWZGCYNJDFUHU-UHFFFAOYSA-N
XLogP2.72
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.73
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N,N-bis(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 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N,N-bis(prop-2-enyl)acetamide?
The IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N,N-bis(prop-2-enyl)acetamide (CID 9119798) is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N,N-bis(prop-2-enyl)acetamide.
What is the SMILES notation for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N,N-bis(prop-2-enyl)acetamide?
The canonical SMILES for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N,N-bis(prop-2-enyl)acetamide is C=CCN(CC=C)C(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O.
What is the InChIKey of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N,N-bis(prop-2-enyl)acetamide?
The InChIKey is HXWZGCYNJDFUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF3N2O2/c1-3-5-19(6-4-2)12(21)9-20-8-10(14(16,17)18)7-11(15)13(20)22/h3-4,7-8H,1-2,5-6,9H2.
What are the key properties of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N,N-bis(prop-2-enyl)acetamide?
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N,N-bis(prop-2-enyl)acetamide has a molecular weight of 334.73 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N,N-bis(prop-2-enyl)acetamide is sourced from PubChem (CID 9119798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).