(2E,4E)-6-chloro-4-fluoro-2-methyl-N-(2-methylcyclohexyl)hepta-2,4,6-trienamide

C15H21ClFNO — CID 159748355

IUPAC(2E,4E)-6-chloro-4-fluoro-2-methyl-N-(2-methylcyclohexyl)hepta-2,4,6-trienamide
SMILESC=C(Cl)/C=C(F)\C=C(/C)C(=O)NC1CCCCC1C
InChIInChI=1S/C15H21ClFNO/c1-10-6-4-5-7-14(10)18-15(19)11(2)8-13(17)9-12(3)16/h8-10,14H,3-7H2,1-2H3,(H,18,19)/b11-8+,13-9+
InChIKeyNDIJXROSLKJMOB-BLTLMDCKSA-N
MW285.79 g/mol
LogP4.23
Rot. Bonds4

About (2E,4E)-6-chloro-4-fluoro-2-methyl-N-(2-methylcyclohexyl)hepta-2,4,6-trienamide

(2E,4E)-6-chloro-4-fluoro-2-methyl-N-(2-methylcyclohexyl)hepta-2,4,6-trienamide (PubChem CID 159748355) has the molecular formula C15H21ClFNO and a molecular weight of 285.79 g/mol. Its IUPAC name is (2E,4E)-6-chloro-4-fluoro-2-methyl-N-(2-methylcyclohexyl)hepta-2,4,6-trienamide.

Molecular Properties

Compound Name(2E,4E)-6-chloro-4-fluoro-2-methyl-N-(2-methylcyclohexyl)hepta-2,4,6-trienamide
PubChem CID159748355
Molecular FormulaC15H21ClFNO
Molecular Weight285.79 g/mol
Exact Mass285.13
IUPAC Name(2E,4E)-6-chloro-4-fluoro-2-methyl-N-(2-methylcyclohexyl)hepta-2,4,6-trienamide
SMILESC=C(Cl)/C=C(F)\C=C(/C)C(=O)NC1CCCCC1C
InChIInChI=1S/C15H21ClFNO/c1-10-6-4-5-7-14(10)18-15(19)11(2)8-13(17)9-12(3)16/h8-10,14H,3-7H2,1-2H3,(H,18,19)/b11-8+,13-9+
InChIKeyNDIJXROSLKJMOB-BLTLMDCKSA-N
XLogP4.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.79
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E,4E)-6-chloro-4-fluoro-2-methyl-N-(2-methylcyclohexyl)hepta-2,4,6-trienamide 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,4E)-6-chloro-4-fluoro-2-methyl-N-(2-methylcyclohexyl)hepta-2,4,6-trienamide?
The IUPAC name of (2E,4E)-6-chloro-4-fluoro-2-methyl-N-(2-methylcyclohexyl)hepta-2,4,6-trienamide (CID 159748355) is (2E,4E)-6-chloro-4-fluoro-2-methyl-N-(2-methylcyclohexyl)hepta-2,4,6-trienamide.
What is the SMILES notation for (2E,4E)-6-chloro-4-fluoro-2-methyl-N-(2-methylcyclohexyl)hepta-2,4,6-trienamide?
The canonical SMILES for (2E,4E)-6-chloro-4-fluoro-2-methyl-N-(2-methylcyclohexyl)hepta-2,4,6-trienamide is C=C(Cl)/C=C(F)\C=C(/C)C(=O)NC1CCCCC1C.
What is the InChIKey of (2E,4E)-6-chloro-4-fluoro-2-methyl-N-(2-methylcyclohexyl)hepta-2,4,6-trienamide?
The InChIKey is NDIJXROSLKJMOB-BLTLMDCKSA-N. The full InChI is InChI=1S/C15H21ClFNO/c1-10-6-4-5-7-14(10)18-15(19)11(2)8-13(17)9-12(3)16/h8-10,14H,3-7H2,1-2H3,(H,18,19)/b11-8+,13-9+.
What are the key properties of (2E,4E)-6-chloro-4-fluoro-2-methyl-N-(2-methylcyclohexyl)hepta-2,4,6-trienamide?
(2E,4E)-6-chloro-4-fluoro-2-methyl-N-(2-methylcyclohexyl)hepta-2,4,6-trienamide has a molecular weight of 285.79 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-6-chloro-4-fluoro-2-methyl-N-(2-methylcyclohexyl)hepta-2,4,6-trienamide is sourced from PubChem (CID 159748355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).