2-fluoro-N-[2-(2-fluorohex-2-enoylamino)cyclopentyl]hex-2-enamide

C17H26F2N2O2 — CID 123759140

IUPAC2-fluoro-N-[2-(2-fluorohex-2-enoylamino)cyclopentyl]hex-2-enamide
SMILESCCCC=C(F)C(=O)NC1CCCC1NC(=O)C(F)=CCCC
InChIInChI=1S/C17H26F2N2O2/c1-3-5-8-12(18)16(22)20-14-10-7-11-15(14)21-17(23)13(19)9-6-4-2/h8-9,14-15H,3-7,10-11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyVXDXIECZPBYJOE-UHFFFAOYSA-N
MW328.40 g/mol
LogP3.45
Rot. Bonds8

About 2-fluoro-N-[2-(2-fluorohex-2-enoylamino)cyclopentyl]hex-2-enamide

2-fluoro-N-[2-(2-fluorohex-2-enoylamino)cyclopentyl]hex-2-enamide (PubChem CID 123759140) has the molecular formula C17H26F2N2O2 and a molecular weight of 328.40 g/mol. Its IUPAC name is 2-fluoro-N-[2-(2-fluorohex-2-enoylamino)cyclopentyl]hex-2-enamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(2-fluorohex-2-enoylamino)cyclopentyl]hex-2-enamide
PubChem CID123759140
Molecular FormulaC17H26F2N2O2
Molecular Weight328.40 g/mol
Exact Mass328.20
IUPAC Name2-fluoro-N-[2-(2-fluorohex-2-enoylamino)cyclopentyl]hex-2-enamide
SMILESCCCC=C(F)C(=O)NC1CCCC1NC(=O)C(F)=CCCC
InChIInChI=1S/C17H26F2N2O2/c1-3-5-8-12(18)16(22)20-14-10-7-11-15(14)21-17(23)13(19)9-6-4-2/h8-9,14-15H,3-7,10-11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyVXDXIECZPBYJOE-UHFFFAOYSA-N
XLogP3.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-fluoro-N-[2-(2-fluorohex-2-enoylamino)cyclopentyl]hex-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,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
(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
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-[2-(2-fluorodec-2-enoylamino)cyclopentyl]dec-2-enamide
CID 123230567
2-fluoro-N-[(1S,2R)-2-(2-fluorotetradec-2-enoylamino)cyclopentyl]tetradec-2-enamide
CID 123263047
2-fluoro-N-[3-(2-fluorododec-2-enoylamino)cyclopentyl]dodec-2-enamide
CID 123285667
2-fluoro-N-[3-(2-fluoroundec-2-enoylamino)cyclopentyl]undec-2-enamide
CID 123331169

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(2-fluorohex-2-enoylamino)cyclopentyl]hex-2-enamide?
The IUPAC name of 2-fluoro-N-[2-(2-fluorohex-2-enoylamino)cyclopentyl]hex-2-enamide (CID 123759140) is 2-fluoro-N-[2-(2-fluorohex-2-enoylamino)cyclopentyl]hex-2-enamide.
What is the SMILES notation for 2-fluoro-N-[2-(2-fluorohex-2-enoylamino)cyclopentyl]hex-2-enamide?
The canonical SMILES for 2-fluoro-N-[2-(2-fluorohex-2-enoylamino)cyclopentyl]hex-2-enamide is CCCC=C(F)C(=O)NC1CCCC1NC(=O)C(F)=CCCC.
What is the InChIKey of 2-fluoro-N-[2-(2-fluorohex-2-enoylamino)cyclopentyl]hex-2-enamide?
The InChIKey is VXDXIECZPBYJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F2N2O2/c1-3-5-8-12(18)16(22)20-14-10-7-11-15(14)21-17(23)13(19)9-6-4-2/h8-9,14-15H,3-7,10-11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 2-fluoro-N-[2-(2-fluorohex-2-enoylamino)cyclopentyl]hex-2-enamide?
2-fluoro-N-[2-(2-fluorohex-2-enoylamino)cyclopentyl]hex-2-enamide has a molecular weight of 328.40 g/mol, XLogP of 3.45, 8 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-fluorohex-2-enoylamino)cyclopentyl]hex-2-enamide is sourced from PubChem (CID 123759140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).