2-fluoro-N-[(1S,2R)-2-(2-fluorotetradec-2-enoylamino)cyclopentyl]tetradec-2-enamide

C33H58F2N2O2 — CID 123263047

IUPAC2-fluoro-N-[(1S,2R)-2-(2-fluorotetradec-2-enoylamino)cyclopentyl]tetradec-2-enamide
SMILESCCCCCCCCCCCC=C(F)C(=O)N[C@H]1CCC[C@H]1NC(=O)C(F)=CCCCCCCCCCCC
InChIInChI=1S/C33H58F2N2O2/c1-3-5-7-9-11-13-15-17-19-21-24-28(34)32(38)36-30-26-23-27-31(30)37-33(39)29(35)25-22-20-18-16-14-12-10-8-6-4-2/h24-25,30-31H,3-23,26-27H2,1-2H3,(H,36,38)(H,37,39)/t30-,31+
InChIKeyMDNFEOWOZFARJW-QRRGNZNSSA-N
MW552.84 g/mol
LogP9.69
Rot. Bonds24

About 2-fluoro-N-[(1S,2R)-2-(2-fluorotetradec-2-enoylamino)cyclopentyl]tetradec-2-enamide

2-fluoro-N-[(1S,2R)-2-(2-fluorotetradec-2-enoylamino)cyclopentyl]tetradec-2-enamide (PubChem CID 123263047) has the molecular formula C33H58F2N2O2 and a molecular weight of 552.84 g/mol. Its IUPAC name is 2-fluoro-N-[(1S,2R)-2-(2-fluorotetradec-2-enoylamino)cyclopentyl]tetradec-2-enamide.

Molecular Properties

Compound Name2-fluoro-N-[(1S,2R)-2-(2-fluorotetradec-2-enoylamino)cyclopentyl]tetradec-2-enamide
PubChem CID123263047
Molecular FormulaC33H58F2N2O2
Molecular Weight552.84 g/mol
Exact Mass552.45
IUPAC Name2-fluoro-N-[(1S,2R)-2-(2-fluorotetradec-2-enoylamino)cyclopentyl]tetradec-2-enamide
SMILESCCCCCCCCCCCC=C(F)C(=O)N[C@H]1CCC[C@H]1NC(=O)C(F)=CCCCCCCCCCCC
InChIInChI=1S/C33H58F2N2O2/c1-3-5-7-9-11-13-15-17-19-21-24-28(34)32(38)36-30-26-23-27-31(30)37-33(39)29(35)25-22-20-18-16-14-12-10-8-6-4-2/h24-25,30-31H,3-23,26-27H2,1-2H3,(H,36,38)(H,37,39)/t30-,31+
InChIKeyMDNFEOWOZFARJW-QRRGNZNSSA-N
XLogP9.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.84
LogP ≤ 59.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[(1S,2R)-2-(2-fluorotetradec-2-enoylamino)cyclopentyl]tetradec-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-2-fluoro-N-[(1R,2S)-2-[[(E)-2-fluorotetradec-2-enoyl]amino]cyclopentyl]tetradec-2-enamide
CID 71244459
(E)-2-fluoro-N-[(1R,3S)-3-[[(E)-2-fluorotetradec-2-enoyl]amino]cyclopentyl]tetradec-2-enamide
CID 71244479
(Z)-2-fluoro-N-[(1R,2S)-2-[[(E)-2-fluoro-14-hydroxytetradec-2-enoyl]amino]cyclopentyl]-14-hydroxytetradec-2-enamide
CID 71244495
(Z)-2-fluoro-N-[(1R,3S)-3-[[(Z)-2-fluorotetradec-2-enoyl]amino]cyclopentyl]tetradec-2-enamide
CID 71244497
(Z)-2-fluoro-N-[(1R,3S)-3-[[(E)-2-fluorotetradec-2-enoyl]amino]cyclopentyl]tetradec-2-enamide
CID 71244498
(E)-2-fluoro-N-[(1S,2R)-2-[[(E)-2-fluoro-14-hydroxytetradec-2-enoyl]amino]cyclopentyl]-14-hydroxytetradec-2-enamide
CID 71244501
(Z)-2-fluoro-N-[(1S,2R)-2-[[(Z)-2-fluoro-17-hydroxyheptadec-2-enoyl]amino]cyclopentyl]-17-hydroxyheptadec-2-enamide
CID 71244502
(Z)-2-fluoro-N-[(1S,2R)-2-[[(Z)-2-fluoro-18-hydroxyoctadec-2-enoyl]amino]cyclopentyl]-18-hydroxyoctadec-2-enamide
CID 71244503
(E)-2-fluoro-N-[(1R,2S)-2-[[(E)-2-fluorotetradec-2-enoyl]amino]cyclopropyl]tetradec-2-enamide
CID 71244515
(Z)-2-fluoro-N-[(1S,2R)-2-[[(Z)-2-fluorotetradec-2-enoyl]amino]cyclopentyl]tetradec-2-enamide
CID 71511743
2-fluoro-N-[2-[(2-fluoro-14-hydroxytetradec-2-enoyl)amino]cyclopentyl]-14-hydroxytetradec-2-enamide
CID 78045861
2-fluoro-N-[2-[(2-fluoro-17-hydroxyheptadec-2-enoyl)amino]cyclopentyl]-17-hydroxyheptadec-2-enamide
CID 78045864

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(1S,2R)-2-(2-fluorotetradec-2-enoylamino)cyclopentyl]tetradec-2-enamide?
The IUPAC name of 2-fluoro-N-[(1S,2R)-2-(2-fluorotetradec-2-enoylamino)cyclopentyl]tetradec-2-enamide (CID 123263047) is 2-fluoro-N-[(1S,2R)-2-(2-fluorotetradec-2-enoylamino)cyclopentyl]tetradec-2-enamide.
What is the SMILES notation for 2-fluoro-N-[(1S,2R)-2-(2-fluorotetradec-2-enoylamino)cyclopentyl]tetradec-2-enamide?
The canonical SMILES for 2-fluoro-N-[(1S,2R)-2-(2-fluorotetradec-2-enoylamino)cyclopentyl]tetradec-2-enamide is CCCCCCCCCCCC=C(F)C(=O)N[C@H]1CCC[C@H]1NC(=O)C(F)=CCCCCCCCCCCC.
What is the InChIKey of 2-fluoro-N-[(1S,2R)-2-(2-fluorotetradec-2-enoylamino)cyclopentyl]tetradec-2-enamide?
The InChIKey is MDNFEOWOZFARJW-QRRGNZNSSA-N. The full InChI is InChI=1S/C33H58F2N2O2/c1-3-5-7-9-11-13-15-17-19-21-24-28(34)32(38)36-30-26-23-27-31(30)37-33(39)29(35)25-22-20-18-16-14-12-10-8-6-4-2/h24-25,30-31H,3-23,26-27H2,1-2H3,(H,36,38)(H,37,39)/t30-,31+.
What are the key properties of 2-fluoro-N-[(1S,2R)-2-(2-fluorotetradec-2-enoylamino)cyclopentyl]tetradec-2-enamide?
2-fluoro-N-[(1S,2R)-2-(2-fluorotetradec-2-enoylamino)cyclopentyl]tetradec-2-enamide has a molecular weight of 552.84 g/mol, XLogP of 9.69, 24 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(1S,2R)-2-(2-fluorotetradec-2-enoylamino)cyclopentyl]tetradec-2-enamide is sourced from PubChem (CID 123263047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).