(2Z)-N-cyclohexyl-2-ethenyl-3-fluoropenta-2,4-dienamide

C13H18FNO — CID 134549568

IUPAC(2Z)-N-cyclohexyl-2-ethenyl-3-fluoropenta-2,4-dienamide
SMILESC=C/C(F)=C(\C=C)C(=O)NC1CCCCC1
InChIInChI=1S/C13H18FNO/c1-3-11(12(14)4-2)13(16)15-10-8-6-5-7-9-10/h3-4,10H,1-2,5-9H2,(H,15,16)/b12-11-
InChIKeyATEDOBYBQZGXOS-QXMHVHEDSA-N
MW223.29 g/mol
LogP3.03
Rot. Bonds4

About (2Z)-N-cyclohexyl-2-ethenyl-3-fluoropenta-2,4-dienamide

(2Z)-N-cyclohexyl-2-ethenyl-3-fluoropenta-2,4-dienamide (PubChem CID 134549568) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is (2Z)-N-cyclohexyl-2-ethenyl-3-fluoropenta-2,4-dienamide.

Molecular Properties

Compound Name(2Z)-N-cyclohexyl-2-ethenyl-3-fluoropenta-2,4-dienamide
PubChem CID134549568
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name(2Z)-N-cyclohexyl-2-ethenyl-3-fluoropenta-2,4-dienamide
SMILESC=C/C(F)=C(\C=C)C(=O)NC1CCCCC1
InChIInChI=1S/C13H18FNO/c1-3-11(12(14)4-2)13(16)15-10-8-6-5-7-9-10/h3-4,10H,1-2,5-9H2,(H,15,16)/b12-11-
InChIKeyATEDOBYBQZGXOS-QXMHVHEDSA-N
XLogP3.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 53.03
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 (2Z)-N-cyclohexyl-2-ethenyl-3-fluoropenta-2,4-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 (2Z)-N-cyclohexyl-2-ethenyl-3-fluoropenta-2,4-dienamide?
The IUPAC name of (2Z)-N-cyclohexyl-2-ethenyl-3-fluoropenta-2,4-dienamide (CID 134549568) is (2Z)-N-cyclohexyl-2-ethenyl-3-fluoropenta-2,4-dienamide.
What is the SMILES notation for (2Z)-N-cyclohexyl-2-ethenyl-3-fluoropenta-2,4-dienamide?
The canonical SMILES for (2Z)-N-cyclohexyl-2-ethenyl-3-fluoropenta-2,4-dienamide is C=C/C(F)=C(\C=C)C(=O)NC1CCCCC1.
What is the InChIKey of (2Z)-N-cyclohexyl-2-ethenyl-3-fluoropenta-2,4-dienamide?
The InChIKey is ATEDOBYBQZGXOS-QXMHVHEDSA-N. The full InChI is InChI=1S/C13H18FNO/c1-3-11(12(14)4-2)13(16)15-10-8-6-5-7-9-10/h3-4,10H,1-2,5-9H2,(H,15,16)/b12-11-.
What are the key properties of (2Z)-N-cyclohexyl-2-ethenyl-3-fluoropenta-2,4-dienamide?
(2Z)-N-cyclohexyl-2-ethenyl-3-fluoropenta-2,4-dienamide has a molecular weight of 223.29 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-cyclohexyl-2-ethenyl-3-fluoropenta-2,4-dienamide is sourced from PubChem (CID 134549568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).