(2E)-4-fluoro-N-(4-methylcyclohexyl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide

C15H22FNO — CID 144683902

IUPAC(2E)-4-fluoro-N-(4-methylcyclohexyl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide
SMILESC=C(F)/C=C(\C=C/C)C(=O)NC1CCC(C)CC1
InChIInChI=1S/C15H22FNO/c1-4-5-13(10-12(3)16)15(18)17-14-8-6-11(2)7-9-14/h4-5,10-11,14H,3,6-9H2,1-2H3,(H,17,18)/b5-4-,13-10+
InChIKeyKUNGQPFHJHXSRK-GNPUEAEQSA-N
MW251.34 g/mol
LogP3.67
Rot. Bonds4

About (2E)-4-fluoro-N-(4-methylcyclohexyl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide

(2E)-4-fluoro-N-(4-methylcyclohexyl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide (PubChem CID 144683902) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is (2E)-4-fluoro-N-(4-methylcyclohexyl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide.

Molecular Properties

Compound Name(2E)-4-fluoro-N-(4-methylcyclohexyl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide
PubChem CID144683902
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name(2E)-4-fluoro-N-(4-methylcyclohexyl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide
SMILESC=C(F)/C=C(\C=C/C)C(=O)NC1CCC(C)CC1
InChIInChI=1S/C15H22FNO/c1-4-5-13(10-12(3)16)15(18)17-14-8-6-11(2)7-9-14/h4-5,10-11,14H,3,6-9H2,1-2H3,(H,17,18)/b5-4-,13-10+
InChIKeyKUNGQPFHJHXSRK-GNPUEAEQSA-N
XLogP3.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.67
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'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-4-fluoro-N-(4-methylcyclohexyl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide?
The IUPAC name of (2E)-4-fluoro-N-(4-methylcyclohexyl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide (CID 144683902) is (2E)-4-fluoro-N-(4-methylcyclohexyl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide.
What is the SMILES notation for (2E)-4-fluoro-N-(4-methylcyclohexyl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide?
The canonical SMILES for (2E)-4-fluoro-N-(4-methylcyclohexyl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide is C=C(F)/C=C(\C=C/C)C(=O)NC1CCC(C)CC1.
What is the InChIKey of (2E)-4-fluoro-N-(4-methylcyclohexyl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide?
The InChIKey is KUNGQPFHJHXSRK-GNPUEAEQSA-N. The full InChI is InChI=1S/C15H22FNO/c1-4-5-13(10-12(3)16)15(18)17-14-8-6-11(2)7-9-14/h4-5,10-11,14H,3,6-9H2,1-2H3,(H,17,18)/b5-4-,13-10+.
What are the key properties of (2E)-4-fluoro-N-(4-methylcyclohexyl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide?
(2E)-4-fluoro-N-(4-methylcyclohexyl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide has a molecular weight of 251.34 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-4-fluoro-N-(4-methylcyclohexyl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide is sourced from PubChem (CID 144683902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).