(2E)-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-ethylidene-4-methylidene-5-oxohexanamide

C15H14ClF3N2O2 — CID 175624596

IUPAC(2E)-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-ethylidene-4-methylidene-5-oxohexanamide
SMILESC=C(C/C(=C\C)C(=O)Nc1cc(C(F)(F)F)c(Cl)cn1)C(C)=O
InChIInChI=1S/C15H14ClF3N2O2/c1-4-10(5-8(2)9(3)22)14(23)21-13-6-11(15(17,18)19)12(16)7-20-13/h4,6-7H,2,5H2,1,3H3,(H,20,21,23)/b10-4+
InChIKeyMYOLOPDDQXSIRD-ONNFQVAWSA-N
MW346.74 g/mol
LogP4.17
Rot. Bonds5

About (2E)-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-ethylidene-4-methylidene-5-oxohexanamide

(2E)-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-ethylidene-4-methylidene-5-oxohexanamide (PubChem CID 175624596) has the molecular formula C15H14ClF3N2O2 and a molecular weight of 346.74 g/mol. Its IUPAC name is (2E)-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-ethylidene-4-methylidene-5-oxohexanamide.

Molecular Properties

Compound Name(2E)-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-ethylidene-4-methylidene-5-oxohexanamide
PubChem CID175624596
Molecular FormulaC15H14ClF3N2O2
Molecular Weight346.74 g/mol
Exact Mass346.07
IUPAC Name(2E)-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-ethylidene-4-methylidene-5-oxohexanamide
SMILESC=C(C/C(=C\C)C(=O)Nc1cc(C(F)(F)F)c(Cl)cn1)C(C)=O
InChIInChI=1S/C15H14ClF3N2O2/c1-4-10(5-8(2)9(3)22)14(23)21-13-6-11(15(17,18)19)12(16)7-20-13/h4,6-7H,2,5H2,1,3H3,(H,20,21,23)/b10-4+
InChIKeyMYOLOPDDQXSIRD-ONNFQVAWSA-N
XLogP4.17
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.74
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2E)-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-ethylidene-4-methylidene-5-oxohexanamide 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 (2E)-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-ethylidene-4-methylidene-5-oxohexanamide?
The IUPAC name of (2E)-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-ethylidene-4-methylidene-5-oxohexanamide (CID 175624596) is (2E)-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-ethylidene-4-methylidene-5-oxohexanamide.
What is the SMILES notation for (2E)-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-ethylidene-4-methylidene-5-oxohexanamide?
The canonical SMILES for (2E)-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-ethylidene-4-methylidene-5-oxohexanamide is C=C(C/C(=C\C)C(=O)Nc1cc(C(F)(F)F)c(Cl)cn1)C(C)=O.
What is the InChIKey of (2E)-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-ethylidene-4-methylidene-5-oxohexanamide?
The InChIKey is MYOLOPDDQXSIRD-ONNFQVAWSA-N. The full InChI is InChI=1S/C15H14ClF3N2O2/c1-4-10(5-8(2)9(3)22)14(23)21-13-6-11(15(17,18)19)12(16)7-20-13/h4,6-7H,2,5H2,1,3H3,(H,20,21,23)/b10-4+.
What are the key properties of (2E)-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-ethylidene-4-methylidene-5-oxohexanamide?
(2E)-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-ethylidene-4-methylidene-5-oxohexanamide has a molecular weight of 346.74 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-ethylidene-4-methylidene-5-oxohexanamide is sourced from PubChem (CID 175624596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).