(5Z,8Z,11Z,14Z)-19-(3-fluorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]nonadeca-5,8,11,14-tetraenamide

C28H40FNO2 — CID 44563693

About (5Z,8Z,11Z,14Z)-19-(3-fluorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]nonadeca-5,8,11,14-tetraenamide

(5Z,8Z,11Z,14Z)-19-(3-fluorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]nonadeca-5,8,11,14-tetraenamide (PubChem CID 44563693) has the molecular formula C28H40FNO2 and a molecular weight of 441.63 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-19-(3-fluorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]nonadeca-5,8,11,14-tetraenamide.

Molecular Properties

• Compound Name: (5Z,8Z,11Z,14Z)-19-(3-fluorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]nonadeca-5,8,11,14-tetraenamide
• PubChem CID: 44563693
• Molecular Formula: C28H40FNO2
• Molecular Weight: 441.63 g/mol
• Exact Mass: 441.30
• IUPAC Name: (5Z,8Z,11Z,14Z)-19-(3-fluorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]nonadeca-5,8,11,14-tetraenamide
• SMILES: C[C@H](CO)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCc1cccc(F)c1
• InChI: InChI=1S/C28H40FNO2/c1-25(24-31)30-28(32)22-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-19-26-20-18-21-27(29)23-26/h2,4-5,7-8,10-11,13,18,20-21,23,25,31H,3,6,9,12,14-17,19,22,24H2,1H3,(H,30,32)/b4-2-,7-5-,10-8-,13-11-/t25-/m1/s1
• InChIKey: BPFKKKXJXMTOMR-OGKKXEKVSA-N
• XLogP: 6.60
• TPSA: 49.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 17
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	441.63
LogP ≤ 5	6.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5Z,8Z,11Z,14Z)-19-(3-fluorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]nonadeca-5,8,11,14-tetraenamide?

The IUPAC name of (5Z,8Z,11Z,14Z)-19-(3-fluorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]nonadeca-5,8,11,14-tetraenamide (CID 44563693) is (5Z,8Z,11Z,14Z)-19-(3-fluorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]nonadeca-5,8,11,14-tetraenamide.

What is the SMILES notation for (5Z,8Z,11Z,14Z)-19-(3-fluorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]nonadeca-5,8,11,14-tetraenamide?

The canonical SMILES for (5Z,8Z,11Z,14Z)-19-(3-fluorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]nonadeca-5,8,11,14-tetraenamide is C[C@H](CO)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCc1cccc(F)c1.

What is the InChIKey of (5Z,8Z,11Z,14Z)-19-(3-fluorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]nonadeca-5,8,11,14-tetraenamide?

The InChIKey is BPFKKKXJXMTOMR-OGKKXEKVSA-N. The full InChI is InChI=1S/C28H40FNO2/c1-25(24-31)30-28(32)22-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-19-26-20-18-21-27(29)23-26/h2,4-5,7-8,10-11,13,18,20-21,23,25,31H,3,6,9,12,14-17,19,22,24H2,1H3,(H,30,32)/b4-2-,7-5-,10-8-,13-11-/t25-/m1/s1.

What are the key properties of (5Z,8Z,11Z,14Z)-19-(3-fluorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]nonadeca-5,8,11,14-tetraenamide?

(5Z,8Z,11Z,14Z)-19-(3-fluorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]nonadeca-5,8,11,14-tetraenamide has a molecular weight of 441.63 g/mol, XLogP of 6.60, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z,8Z,11Z,14Z)-19-(3-fluorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]nonadeca-5,8,11,14-tetraenamide is sourced from PubChem (CID 44563693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).