(2E,5E)-N-[4-(3,3-difluoroazetidin-1-yl)cyclohexyl]-6-fluoro-2-methyl-4-methylidenehepta-2,5-dienamide

C18H25F3N2O — CID 129276297

IUPAC(2E,5E)-N-[4-(3,3-difluoroazetidin-1-yl)cyclohexyl]-6-fluoro-2-methyl-4-methylidenehepta-2,5-dienamide
SMILESC=C(/C=C(\C)F)/C=C(\C)C(=O)NC1CCC(N2CC(F)(F)C2)CC1
InChIInChI=1S/C18H25F3N2O/c1-12(9-14(3)19)8-13(2)17(24)22-15-4-6-16(7-5-15)23-10-18(20,21)11-23/h8-9,15-16H,1,4-7,10-11H2,2-3H3,(H,22,24)/b13-8+,14-9+
InChIKeyNGDFWJCKDAVZNE-UQNWOCKMSA-N
MW342.41 g/mol
LogP3.74
Rot. Bonds5

About (2E,5E)-N-[4-(3,3-difluoroazetidin-1-yl)cyclohexyl]-6-fluoro-2-methyl-4-methylidenehepta-2,5-dienamide

(2E,5E)-N-[4-(3,3-difluoroazetidin-1-yl)cyclohexyl]-6-fluoro-2-methyl-4-methylidenehepta-2,5-dienamide (PubChem CID 129276297) has the molecular formula C18H25F3N2O and a molecular weight of 342.41 g/mol. Its IUPAC name is (2E,5E)-N-[4-(3,3-difluoroazetidin-1-yl)cyclohexyl]-6-fluoro-2-methyl-4-methylidenehepta-2,5-dienamide.

Molecular Properties

Compound Name(2E,5E)-N-[4-(3,3-difluoroazetidin-1-yl)cyclohexyl]-6-fluoro-2-methyl-4-methylidenehepta-2,5-dienamide
PubChem CID129276297
Molecular FormulaC18H25F3N2O
Molecular Weight342.41 g/mol
Exact Mass342.19
IUPAC Name(2E,5E)-N-[4-(3,3-difluoroazetidin-1-yl)cyclohexyl]-6-fluoro-2-methyl-4-methylidenehepta-2,5-dienamide
SMILESC=C(/C=C(\C)F)/C=C(\C)C(=O)NC1CCC(N2CC(F)(F)C2)CC1
InChIInChI=1S/C18H25F3N2O/c1-12(9-14(3)19)8-13(2)17(24)22-15-4-6-16(7-5-15)23-10-18(20,21)11-23/h8-9,15-16H,1,4-7,10-11H2,2-3H3,(H,22,24)/b13-8+,14-9+
InChIKeyNGDFWJCKDAVZNE-UQNWOCKMSA-N
XLogP3.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2E,5E)-N-[4-(3,3-difluoroazetidin-1-yl)cyclohexyl]-6-fluoro-2-methyl-4-methylidenehepta-2,5-dienamide 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,5E)-N-[4-(3,3-difluoroazetidin-1-yl)cyclohexyl]-6-fluoro-2-methyl-4-methylidenehepta-2,5-dienamide?
The IUPAC name of (2E,5E)-N-[4-(3,3-difluoroazetidin-1-yl)cyclohexyl]-6-fluoro-2-methyl-4-methylidenehepta-2,5-dienamide (CID 129276297) is (2E,5E)-N-[4-(3,3-difluoroazetidin-1-yl)cyclohexyl]-6-fluoro-2-methyl-4-methylidenehepta-2,5-dienamide.
What is the SMILES notation for (2E,5E)-N-[4-(3,3-difluoroazetidin-1-yl)cyclohexyl]-6-fluoro-2-methyl-4-methylidenehepta-2,5-dienamide?
The canonical SMILES for (2E,5E)-N-[4-(3,3-difluoroazetidin-1-yl)cyclohexyl]-6-fluoro-2-methyl-4-methylidenehepta-2,5-dienamide is C=C(/C=C(\C)F)/C=C(\C)C(=O)NC1CCC(N2CC(F)(F)C2)CC1.
What is the InChIKey of (2E,5E)-N-[4-(3,3-difluoroazetidin-1-yl)cyclohexyl]-6-fluoro-2-methyl-4-methylidenehepta-2,5-dienamide?
The InChIKey is NGDFWJCKDAVZNE-UQNWOCKMSA-N. The full InChI is InChI=1S/C18H25F3N2O/c1-12(9-14(3)19)8-13(2)17(24)22-15-4-6-16(7-5-15)23-10-18(20,21)11-23/h8-9,15-16H,1,4-7,10-11H2,2-3H3,(H,22,24)/b13-8+,14-9+.
What are the key properties of (2E,5E)-N-[4-(3,3-difluoroazetidin-1-yl)cyclohexyl]-6-fluoro-2-methyl-4-methylidenehepta-2,5-dienamide?
(2E,5E)-N-[4-(3,3-difluoroazetidin-1-yl)cyclohexyl]-6-fluoro-2-methyl-4-methylidenehepta-2,5-dienamide has a molecular weight of 342.41 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E)-N-[4-(3,3-difluoroazetidin-1-yl)cyclohexyl]-6-fluoro-2-methyl-4-methylidenehepta-2,5-dienamide is sourced from PubChem (CID 129276297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).