2-fluoro-N-(3-formamidocyclopentyl)hept-2-enamide

C13H21FN2O2 — CID 123469268

IUPAC2-fluoro-N-(3-formamidocyclopentyl)hept-2-enamide
SMILESCCCCC=C(F)C(=O)NC1CCC(NC=O)C1
InChIInChI=1S/C13H21FN2O2/c1-2-3-4-5-12(14)13(18)16-11-7-6-10(8-11)15-9-17/h5,9-11H,2-4,6-8H2,1H3,(H,15,17)(H,16,18)
InChIKeyWSQLJPGHZPYVCL-UHFFFAOYSA-N
MW256.32 g/mol
LogP1.81
Rot. Bonds7

About 2-fluoro-N-(3-formamidocyclopentyl)hept-2-enamide

2-fluoro-N-(3-formamidocyclopentyl)hept-2-enamide (PubChem CID 123469268) has the molecular formula C13H21FN2O2 and a molecular weight of 256.32 g/mol. Its IUPAC name is 2-fluoro-N-(3-formamidocyclopentyl)hept-2-enamide.

Molecular Properties

Compound Name2-fluoro-N-(3-formamidocyclopentyl)hept-2-enamide
PubChem CID123469268
Molecular FormulaC13H21FN2O2
Molecular Weight256.32 g/mol
Exact Mass256.16
IUPAC Name2-fluoro-N-(3-formamidocyclopentyl)hept-2-enamide
SMILESCCCCC=C(F)C(=O)NC1CCC(NC=O)C1
InChIInChI=1S/C13H21FN2O2/c1-2-3-4-5-12(14)13(18)16-11-7-6-10(8-11)15-9-17/h5,9-11H,2-4,6-8H2,1H3,(H,15,17)(H,16,18)
InChIKeyWSQLJPGHZPYVCL-UHFFFAOYSA-N
XLogP1.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-fluoro-N-(3-formamidocyclopentyl)hept-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

(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
2-fluoro-N-[3-(2-fluorotridec-2-enoylamino)cyclopentyl]tetradec-2-enamide
CID 123172848
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
2-fluoro-N-[3-(2-fluoronon-2-enoylamino)cyclopentyl]non-2-enamide
CID 123441982
2-fluoro-N-[3-(2-fluorododec-2-enoylamino)cyclopentyl]tetradec-2-enamide
CID 123500559
2-fluoro-N-[(1R,3S)-3-(2-fluorotetradec-2-enoylamino)cyclopentyl]tetradec-2-enamide
CID 123519449
2-fluoro-N-[3-(2-fluoropent-2-enoylamino)cyclopentyl]hex-2-enamide
CID 123566362
2-fluoro-N-[3-(2-fluorononadec-2-enoylamino)cyclopentyl]nonadec-2-enamide
CID 123689191
2-fluoro-N-[2-(2-fluorohex-2-enoylamino)cyclopentyl]hex-2-enamide
CID 123759140

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3-formamidocyclopentyl)hept-2-enamide?
The IUPAC name of 2-fluoro-N-(3-formamidocyclopentyl)hept-2-enamide (CID 123469268) is 2-fluoro-N-(3-formamidocyclopentyl)hept-2-enamide.
What is the SMILES notation for 2-fluoro-N-(3-formamidocyclopentyl)hept-2-enamide?
The canonical SMILES for 2-fluoro-N-(3-formamidocyclopentyl)hept-2-enamide is CCCCC=C(F)C(=O)NC1CCC(NC=O)C1.
What is the InChIKey of 2-fluoro-N-(3-formamidocyclopentyl)hept-2-enamide?
The InChIKey is WSQLJPGHZPYVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O2/c1-2-3-4-5-12(14)13(18)16-11-7-6-10(8-11)15-9-17/h5,9-11H,2-4,6-8H2,1H3,(H,15,17)(H,16,18).
What are the key properties of 2-fluoro-N-(3-formamidocyclopentyl)hept-2-enamide?
2-fluoro-N-(3-formamidocyclopentyl)hept-2-enamide has a molecular weight of 256.32 g/mol, XLogP of 1.81, 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-formamidocyclopentyl)hept-2-enamide is sourced from PubChem (CID 123469268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).