(Z)-2-fluoro-N-[(1R,2S)-2-[[(E)-2-fluoro-14-hydroxytetradec-2-enoyl]amino]cyclopentyl]pentadec-2-enamide

C34H60F2N2O3 — CID 144516796

About (Z)-2-fluoro-N-[(1R,2S)-2-[[(E)-2-fluoro-14-hydroxytetradec-2-enoyl]amino]cyclopentyl]pentadec-2-enamide

(Z)-2-fluoro-N-[(1R,2S)-2-[[(E)-2-fluoro-14-hydroxytetradec-2-enoyl]amino]cyclopentyl]pentadec-2-enamide (PubChem CID 144516796) has the molecular formula C34H60F2N2O3 and a molecular weight of 582.86 g/mol. Its IUPAC name is (Z)-2-fluoro-N-[(1R,2S)-2-[[(E)-2-fluoro-14-hydroxytetradec-2-enoyl]amino]cyclopentyl]pentadec-2-enamide.

Molecular Properties

• Compound Name: (Z)-2-fluoro-N-[(1R,2S)-2-[[(E)-2-fluoro-14-hydroxytetradec-2-enoyl]amino]cyclopentyl]pentadec-2-enamide
• PubChem CID: 144516796
• Molecular Formula: C34H60F2N2O3
• Molecular Weight: 582.86 g/mol
• Exact Mass: 582.46
• IUPAC Name: (Z)-2-fluoro-N-[(1R,2S)-2-[[(E)-2-fluoro-14-hydroxytetradec-2-enoyl]amino]cyclopentyl]pentadec-2-enamide
• SMILES: CCCCCCCCCCCC/C=C(\F)C(=O)N[C@@H]1CCC[C@@H]1NC(=O)/C(F)=C\CCCCCCCCCCCO
• InChI: InChI=1S/C34H60F2N2O3/c1-2-3-4-5-6-7-8-11-14-17-20-24-29(35)33(40)37-31-26-23-27-32(31)38-34(41)30(36)25-21-18-15-12-9-10-13-16-19-22-28-39/h24-25,31-32,39H,2-23,26-28H2,1H3,(H,37,40)(H,38,41)/b29-24-,30-25+/t31-,32+/m1/s1
• InChIKey: ZYZWVPPSOJHWHT-CCIDNSFASA-N
• XLogP: 9.05
• TPSA: 78.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 26
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	582.86
LogP ≤ 5	9.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (Z)-2-fluoro-N-[(1R,2S)-2-[[(E)-2-fluoro-14-hydroxytetradec-2-enoyl]amino]cyclopentyl]pentadec-2-enamide?

The IUPAC name of (Z)-2-fluoro-N-[(1R,2S)-2-[[(E)-2-fluoro-14-hydroxytetradec-2-enoyl]amino]cyclopentyl]pentadec-2-enamide (CID 144516796) is (Z)-2-fluoro-N-[(1R,2S)-2-[[(E)-2-fluoro-14-hydroxytetradec-2-enoyl]amino]cyclopentyl]pentadec-2-enamide.

What is the SMILES notation for (Z)-2-fluoro-N-[(1R,2S)-2-[[(E)-2-fluoro-14-hydroxytetradec-2-enoyl]amino]cyclopentyl]pentadec-2-enamide?

The canonical SMILES for (Z)-2-fluoro-N-[(1R,2S)-2-[[(E)-2-fluoro-14-hydroxytetradec-2-enoyl]amino]cyclopentyl]pentadec-2-enamide is CCCCCCCCCCCC/C=C(\F)C(=O)N[C@@H]1CCC[C@@H]1NC(=O)/C(F)=C\CCCCCCCCCCCO.

What is the InChIKey of (Z)-2-fluoro-N-[(1R,2S)-2-[[(E)-2-fluoro-14-hydroxytetradec-2-enoyl]amino]cyclopentyl]pentadec-2-enamide?

The InChIKey is ZYZWVPPSOJHWHT-CCIDNSFASA-N. The full InChI is InChI=1S/C34H60F2N2O3/c1-2-3-4-5-6-7-8-11-14-17-20-24-29(35)33(40)37-31-26-23-27-32(31)38-34(41)30(36)25-21-18-15-12-9-10-13-16-19-22-28-39/h24-25,31-32,39H,2-23,26-28H2,1H3,(H,37,40)(H,38,41)/b29-24-,30-25+/t31-,32+/m1/s1.

What are the key properties of (Z)-2-fluoro-N-[(1R,2S)-2-[[(E)-2-fluoro-14-hydroxytetradec-2-enoyl]amino]cyclopentyl]pentadec-2-enamide?

(Z)-2-fluoro-N-[(1R,2S)-2-[[(E)-2-fluoro-14-hydroxytetradec-2-enoyl]amino]cyclopentyl]pentadec-2-enamide has a molecular weight of 582.86 g/mol, XLogP of 9.05, 26 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-2-fluoro-N-[(1R,2S)-2-[[(E)-2-fluoro-14-hydroxytetradec-2-enoyl]amino]cyclopentyl]pentadec-2-enamide is sourced from PubChem (CID 144516796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).