2-fluoro-N-[2-[(2-fluoro-14-hydroxytetradec-2-enoyl)amino]cyclopentyl]-14-hydroxytetradec-2-enamide

C33H58F2N2O4 — CID 78045861

IUPAC2-fluoro-N-[2-[(2-fluoro-14-hydroxytetradec-2-enoyl)amino]cyclopentyl]-14-hydroxytetradec-2-enamide
SMILESO=C(NC1CCCC1NC(=O)C(F)=CCCCCCCCCCCCO)C(F)=CCCCCCCCCCCCO
InChIInChI=1S/C33H58F2N2O4/c34-28(22-17-13-9-5-1-3-7-11-15-19-26-38)32(40)36-30-24-21-25-31(30)37-33(41)29(35)23-18-14-10-6-2-4-8-12-16-20-27-39/h22-23,30-31,38-39H,1-21,24-27H2,(H,36,40)(H,37,41)
InChIKeyNVMDHIVUFSCITE-UHFFFAOYSA-N
MW584.83 g/mol
LogP7.63
Rot. Bonds26

About 2-fluoro-N-[2-[(2-fluoro-14-hydroxytetradec-2-enoyl)amino]cyclopentyl]-14-hydroxytetradec-2-enamide

2-fluoro-N-[2-[(2-fluoro-14-hydroxytetradec-2-enoyl)amino]cyclopentyl]-14-hydroxytetradec-2-enamide (PubChem CID 78045861) has the molecular formula C33H58F2N2O4 and a molecular weight of 584.83 g/mol. Its IUPAC name is 2-fluoro-N-[2-[(2-fluoro-14-hydroxytetradec-2-enoyl)amino]cyclopentyl]-14-hydroxytetradec-2-enamide.

Molecular Properties

Compound Name2-fluoro-N-[2-[(2-fluoro-14-hydroxytetradec-2-enoyl)amino]cyclopentyl]-14-hydroxytetradec-2-enamide
PubChem CID78045861
Molecular FormulaC33H58F2N2O4
Molecular Weight584.83 g/mol
Exact Mass584.44
IUPAC Name2-fluoro-N-[2-[(2-fluoro-14-hydroxytetradec-2-enoyl)amino]cyclopentyl]-14-hydroxytetradec-2-enamide
SMILESO=C(NC1CCCC1NC(=O)C(F)=CCCCCCCCCCCCO)C(F)=CCCCCCCCCCCCO
InChIInChI=1S/C33H58F2N2O4/c34-28(22-17-13-9-5-1-3-7-11-15-19-26-38)32(40)36-30-24-21-25-31(30)37-33(41)29(35)23-18-14-10-6-2-4-8-12-16-20-27-39/h22-23,30-31,38-39H,1-21,24-27H2,(H,36,40)(H,37,41)
InChIKeyNVMDHIVUFSCITE-UHFFFAOYSA-N
XLogP7.63
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds26
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.83
LogP ≤ 57.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-fluoro-N-[2-[(2-fluoro-14-hydroxytetradec-2-enoyl)amino]cyclopentyl]-14-hydroxytetradec-2-enamide with MolForge

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Related Compounds

(Z)-2-fluoro-N-[(1R,2S)-2-[[(E)-2-fluorotetradec-2-enoyl]amino]cyclopentyl]tetradec-2-enamide
CID 71244459
(Z)-2-fluoro-N-[(1S,2R)-2-[[(Z)-2-fluoro-10-hydroxydec-2-enoyl]amino]cyclopropyl]-10-hydroxydec-2-enamide
CID 71244460
(E)-2-fluoro-N-[(1R,2S)-2-[[(E)-2-fluoro-16-hydroxyhexadec-2-enoyl]amino]cyclopropyl]-16-hydroxyhexadec-2-enamide
CID 71244462
(Z)-2-fluoro-N-[(1R,2S)-2-[[(Z)-2-fluoro-17-hydroxyheptadec-2-enoyl]amino]cyclopropyl]-17-hydroxyheptadec-2-enamide
CID 71244468
(Z)-2-fluoro-N-[(1S,2R)-2-[[(Z)-2-fluoro-18-hydroxyoctadec-2-enoyl]amino]cyclopropyl]-18-hydroxyoctadec-2-enamide
CID 71244472
(E)-2-fluoro-N-[(1R,3S)-3-[[(E)-2-fluoro-10-hydroxydec-2-enoyl]amino]cyclopentyl]-10-hydroxydec-2-enamide
CID 71244474
(Z)-2-fluoro-N-[(1R,3S)-3-[[(Z)-2-fluoro-11-hydroxyundec-2-enoyl]amino]cyclopentyl]-11-hydroxyundec-2-enamide
CID 71244475
(Z)-2-fluoro-N-[(1R,2S)-2-[[(E)-2-fluoro-14-hydroxytetradec-2-enoyl]amino]cyclopentyl]-14-hydroxytetradec-2-enamide
CID 71244495
(E)-2-fluoro-N-[(1R,2S)-2-[[(E)-2-fluoro-10-hydroxydec-2-enoyl]amino]cyclopentyl]-10-hydroxydec-2-enamide
CID 71244496
(Z)-2-fluoro-N-[(1S,2R)-2-[[(E)-2-fluoro-11-hydroxyundec-2-enoyl]amino]cyclopentyl]-11-hydroxyundec-2-enamide
CID 71244499
(E)-2-fluoro-N-[(1S,2R)-2-[[(E)-2-fluoro-11-hydroxyundec-2-enoyl]amino]cyclopentyl]-11-hydroxyundec-2-enamide
CID 71244500
(E)-2-fluoro-N-[(1S,2R)-2-[[(E)-2-fluoro-14-hydroxytetradec-2-enoyl]amino]cyclopentyl]-14-hydroxytetradec-2-enamide
CID 71244501

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[(2-fluoro-14-hydroxytetradec-2-enoyl)amino]cyclopentyl]-14-hydroxytetradec-2-enamide?
The IUPAC name of 2-fluoro-N-[2-[(2-fluoro-14-hydroxytetradec-2-enoyl)amino]cyclopentyl]-14-hydroxytetradec-2-enamide (CID 78045861) is 2-fluoro-N-[2-[(2-fluoro-14-hydroxytetradec-2-enoyl)amino]cyclopentyl]-14-hydroxytetradec-2-enamide.
What is the SMILES notation for 2-fluoro-N-[2-[(2-fluoro-14-hydroxytetradec-2-enoyl)amino]cyclopentyl]-14-hydroxytetradec-2-enamide?
The canonical SMILES for 2-fluoro-N-[2-[(2-fluoro-14-hydroxytetradec-2-enoyl)amino]cyclopentyl]-14-hydroxytetradec-2-enamide is O=C(NC1CCCC1NC(=O)C(F)=CCCCCCCCCCCCO)C(F)=CCCCCCCCCCCCO.
What is the InChIKey of 2-fluoro-N-[2-[(2-fluoro-14-hydroxytetradec-2-enoyl)amino]cyclopentyl]-14-hydroxytetradec-2-enamide?
The InChIKey is NVMDHIVUFSCITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H58F2N2O4/c34-28(22-17-13-9-5-1-3-7-11-15-19-26-38)32(40)36-30-24-21-25-31(30)37-33(41)29(35)23-18-14-10-6-2-4-8-12-16-20-27-39/h22-23,30-31,38-39H,1-21,24-27H2,(H,36,40)(H,37,41).
What are the key properties of 2-fluoro-N-[2-[(2-fluoro-14-hydroxytetradec-2-enoyl)amino]cyclopentyl]-14-hydroxytetradec-2-enamide?
2-fluoro-N-[2-[(2-fluoro-14-hydroxytetradec-2-enoyl)amino]cyclopentyl]-14-hydroxytetradec-2-enamide has a molecular weight of 584.83 g/mol, XLogP of 7.63, 26 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-[(2-fluoro-14-hydroxytetradec-2-enoyl)amino]cyclopentyl]-14-hydroxytetradec-2-enamide is sourced from PubChem (CID 78045861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).