2-fluoro-N-[2-(2-fluorobut-2-enoylamino)cyclopentyl]non-2-enamide

C18H28F2N2O2 — CID 123720783

IUPAC2-fluoro-N-[2-(2-fluorobut-2-enoylamino)cyclopentyl]non-2-enamide
SMILESCC=C(F)C(=O)NC1CCCC1NC(=O)C(F)=CCCCCCC
InChIInChI=1S/C18H28F2N2O2/c1-3-5-6-7-8-10-14(20)18(24)22-16-12-9-11-15(16)21-17(23)13(19)4-2/h4,10,15-16H,3,5-9,11-12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyPGUMPQOPDMOGKT-UHFFFAOYSA-N
MW342.43 g/mol
LogP3.84
Rot. Bonds9

About 2-fluoro-N-[2-(2-fluorobut-2-enoylamino)cyclopentyl]non-2-enamide

2-fluoro-N-[2-(2-fluorobut-2-enoylamino)cyclopentyl]non-2-enamide (PubChem CID 123720783) has the molecular formula C18H28F2N2O2 and a molecular weight of 342.43 g/mol. Its IUPAC name is 2-fluoro-N-[2-(2-fluorobut-2-enoylamino)cyclopentyl]non-2-enamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(2-fluorobut-2-enoylamino)cyclopentyl]non-2-enamide
PubChem CID123720783
Molecular FormulaC18H28F2N2O2
Molecular Weight342.43 g/mol
Exact Mass342.21
IUPAC Name2-fluoro-N-[2-(2-fluorobut-2-enoylamino)cyclopentyl]non-2-enamide
SMILESCC=C(F)C(=O)NC1CCCC1NC(=O)C(F)=CCCCCCC
InChIInChI=1S/C18H28F2N2O2/c1-3-5-6-7-8-10-14(20)18(24)22-16-12-9-11-15(16)21-17(23)13(19)4-2/h4,10,15-16H,3,5-9,11-12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyPGUMPQOPDMOGKT-UHFFFAOYSA-N
XLogP3.84
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 53.84
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
(Z)-2-fluoro-N-[(1R,2S)-2-[[(3Z)-3-fluoropentadeca-1,3-dien-2-yl]amino]cyclopentyl]tetradec-2-enamide
CID 89399905
(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

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(2-fluorobut-2-enoylamino)cyclopentyl]non-2-enamide?
The IUPAC name of 2-fluoro-N-[2-(2-fluorobut-2-enoylamino)cyclopentyl]non-2-enamide (CID 123720783) is 2-fluoro-N-[2-(2-fluorobut-2-enoylamino)cyclopentyl]non-2-enamide.
What is the SMILES notation for 2-fluoro-N-[2-(2-fluorobut-2-enoylamino)cyclopentyl]non-2-enamide?
The canonical SMILES for 2-fluoro-N-[2-(2-fluorobut-2-enoylamino)cyclopentyl]non-2-enamide is CC=C(F)C(=O)NC1CCCC1NC(=O)C(F)=CCCCCCC.
What is the InChIKey of 2-fluoro-N-[2-(2-fluorobut-2-enoylamino)cyclopentyl]non-2-enamide?
The InChIKey is PGUMPQOPDMOGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28F2N2O2/c1-3-5-6-7-8-10-14(20)18(24)22-16-12-9-11-15(16)21-17(23)13(19)4-2/h4,10,15-16H,3,5-9,11-12H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 2-fluoro-N-[2-(2-fluorobut-2-enoylamino)cyclopentyl]non-2-enamide?
2-fluoro-N-[2-(2-fluorobut-2-enoylamino)cyclopentyl]non-2-enamide has a molecular weight of 342.43 g/mol, XLogP of 3.84, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(2-fluorobut-2-enoylamino)cyclopentyl]non-2-enamide is sourced from PubChem (CID 123720783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).