2-fluoro-N-[3-(2-fluoropent-2-enoylamino)cyclopentyl]hex-2-enamide

C16H24F2N2O2 — CID 123566362

IUPAC2-fluoro-N-[3-(2-fluoropent-2-enoylamino)cyclopentyl]hex-2-enamide
SMILESCCC=C(F)C(=O)NC1CCC(NC(=O)C(F)=CCCC)C1
InChIInChI=1S/C16H24F2N2O2/c1-3-5-7-14(18)16(22)20-12-9-8-11(10-12)19-15(21)13(17)6-4-2/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyDRSGDPCLYSQRDU-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.06
Rot. Bonds7

About 2-fluoro-N-[3-(2-fluoropent-2-enoylamino)cyclopentyl]hex-2-enamide

2-fluoro-N-[3-(2-fluoropent-2-enoylamino)cyclopentyl]hex-2-enamide (PubChem CID 123566362) has the molecular formula C16H24F2N2O2 and a molecular weight of 314.38 g/mol. Its IUPAC name is 2-fluoro-N-[3-(2-fluoropent-2-enoylamino)cyclopentyl]hex-2-enamide.

Molecular Properties

Compound Name2-fluoro-N-[3-(2-fluoropent-2-enoylamino)cyclopentyl]hex-2-enamide
PubChem CID123566362
Molecular FormulaC16H24F2N2O2
Molecular Weight314.38 g/mol
Exact Mass314.18
IUPAC Name2-fluoro-N-[3-(2-fluoropent-2-enoylamino)cyclopentyl]hex-2-enamide
SMILESCCC=C(F)C(=O)NC1CCC(NC(=O)C(F)=CCCC)C1
InChIInChI=1S/C16H24F2N2O2/c1-3-5-7-14(18)16(22)20-12-9-8-11(10-12)19-15(21)13(17)6-4-2/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyDRSGDPCLYSQRDU-UHFFFAOYSA-N
XLogP3.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.06
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-[3-(2-fluoropent-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

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-(2-fluoropent-2-enoylamino)cyclopentyl]hex-2-enamide?
The IUPAC name of 2-fluoro-N-[3-(2-fluoropent-2-enoylamino)cyclopentyl]hex-2-enamide (CID 123566362) is 2-fluoro-N-[3-(2-fluoropent-2-enoylamino)cyclopentyl]hex-2-enamide.
What is the SMILES notation for 2-fluoro-N-[3-(2-fluoropent-2-enoylamino)cyclopentyl]hex-2-enamide?
The canonical SMILES for 2-fluoro-N-[3-(2-fluoropent-2-enoylamino)cyclopentyl]hex-2-enamide is CCC=C(F)C(=O)NC1CCC(NC(=O)C(F)=CCCC)C1.
What is the InChIKey of 2-fluoro-N-[3-(2-fluoropent-2-enoylamino)cyclopentyl]hex-2-enamide?
The InChIKey is DRSGDPCLYSQRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O2/c1-3-5-7-14(18)16(22)20-12-9-8-11(10-12)19-15(21)13(17)6-4-2/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 2-fluoro-N-[3-(2-fluoropent-2-enoylamino)cyclopentyl]hex-2-enamide?
2-fluoro-N-[3-(2-fluoropent-2-enoylamino)cyclopentyl]hex-2-enamide has a molecular weight of 314.38 g/mol, XLogP of 3.06, 7 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-fluoropent-2-enoylamino)cyclopentyl]hex-2-enamide is sourced from PubChem (CID 123566362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).