2-fluoro-N-[3-(2-fluorododec-2-enoylamino)cyclopentyl]dodec-2-enamide

C29H50F2N2O2 — CID 123285667

IUPAC2-fluoro-N-[3-(2-fluorododec-2-enoylamino)cyclopentyl]dodec-2-enamide
SMILESCCCCCCCCCC=C(F)C(=O)NC1CCC(NC(=O)C(F)=CCCCCCCCCC)C1
InChIInChI=1S/C29H50F2N2O2/c1-3-5-7-9-11-13-15-17-19-26(30)28(34)32-24-21-22-25(23-24)33-29(35)27(31)20-18-16-14-12-10-8-6-4-2/h19-20,24-25H,3-18,21-23H2,1-2H3,(H,32,34)(H,33,35)
InChIKeyABGQZCULFMSMCI-UHFFFAOYSA-N
MW496.73 g/mol
LogP8.13
Rot. Bonds20

About 2-fluoro-N-[3-(2-fluorododec-2-enoylamino)cyclopentyl]dodec-2-enamide

2-fluoro-N-[3-(2-fluorododec-2-enoylamino)cyclopentyl]dodec-2-enamide (PubChem CID 123285667) has the molecular formula C29H50F2N2O2 and a molecular weight of 496.73 g/mol. Its IUPAC name is 2-fluoro-N-[3-(2-fluorododec-2-enoylamino)cyclopentyl]dodec-2-enamide.

Molecular Properties

Compound Name2-fluoro-N-[3-(2-fluorododec-2-enoylamino)cyclopentyl]dodec-2-enamide
PubChem CID123285667
Molecular FormulaC29H50F2N2O2
Molecular Weight496.73 g/mol
Exact Mass496.38
IUPAC Name2-fluoro-N-[3-(2-fluorododec-2-enoylamino)cyclopentyl]dodec-2-enamide
SMILESCCCCCCCCCC=C(F)C(=O)NC1CCC(NC(=O)C(F)=CCCCCCCCCC)C1
InChIInChI=1S/C29H50F2N2O2/c1-3-5-7-9-11-13-15-17-19-26(30)28(34)32-24-21-22-25(23-24)33-29(35)27(31)20-18-16-14-12-10-8-6-4-2/h19-20,24-25H,3-18,21-23H2,1-2H3,(H,32,34)(H,33,35)
InChIKeyABGQZCULFMSMCI-UHFFFAOYSA-N
XLogP8.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.73
LogP ≤ 58.13
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'}

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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
(E)-2-fluoro-N-[(1R,3S)-3-[[(E)-2-fluorotetradec-2-enoyl]amino]cyclopentyl]tetradec-2-enamide
CID 71244479
(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-[(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
(E)-2-fluoro-N-[(1R,2S)-2-[[(E)-2-fluorotridec-2-enoyl]amino]cyclopropyl]tridec-2-enamide
CID 90381694
(Z)-2-fluoro-N-[(1R,2S)-2-[[(E)-2-fluorotridec-2-enoyl]amino]cyclopropyl]tridec-2-enamide
CID 90381696
(Z)-2-fluoro-N-[(1R,2S)-2-[[(Z)-2-fluorotridec-2-enoyl]amino]cyclopropyl]tridec-2-enamide
CID 90381700
2-fluoro-N-[3-(2-fluorotridec-2-enoylamino)cyclopentyl]tetradec-2-enamide
CID 123172848
2-fluoro-N-[2-(2-fluoroundec-2-enoylamino)cyclopentyl]undec-2-enamide
CID 123180887
2-fluoro-N-[4-(2-fluorotridec-2-enoylamino)pentan-2-yl]tetradec-2-enamide
CID 123204443

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-(2-fluorododec-2-enoylamino)cyclopentyl]dodec-2-enamide?
The IUPAC name of 2-fluoro-N-[3-(2-fluorododec-2-enoylamino)cyclopentyl]dodec-2-enamide (CID 123285667) is 2-fluoro-N-[3-(2-fluorododec-2-enoylamino)cyclopentyl]dodec-2-enamide.
What is the SMILES notation for 2-fluoro-N-[3-(2-fluorododec-2-enoylamino)cyclopentyl]dodec-2-enamide?
The canonical SMILES for 2-fluoro-N-[3-(2-fluorododec-2-enoylamino)cyclopentyl]dodec-2-enamide is CCCCCCCCCC=C(F)C(=O)NC1CCC(NC(=O)C(F)=CCCCCCCCCC)C1.
What is the InChIKey of 2-fluoro-N-[3-(2-fluorododec-2-enoylamino)cyclopentyl]dodec-2-enamide?
The InChIKey is ABGQZCULFMSMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H50F2N2O2/c1-3-5-7-9-11-13-15-17-19-26(30)28(34)32-24-21-22-25(23-24)33-29(35)27(31)20-18-16-14-12-10-8-6-4-2/h19-20,24-25H,3-18,21-23H2,1-2H3,(H,32,34)(H,33,35).
What are the key properties of 2-fluoro-N-[3-(2-fluorododec-2-enoylamino)cyclopentyl]dodec-2-enamide?
2-fluoro-N-[3-(2-fluorododec-2-enoylamino)cyclopentyl]dodec-2-enamide has a molecular weight of 496.73 g/mol, XLogP of 8.13, 20 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-(2-fluorododec-2-enoylamino)cyclopentyl]dodec-2-enamide is sourced from PubChem (CID 123285667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).