[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate

C21H21FN2O4 — CID 8610838

IUPAC[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
SMILESO=C(COC(=O)C1(c2ccccc2)CCCC1)NNC(=O)c1ccccc1F
InChIInChI=1S/C21H21FN2O4/c22-17-11-5-4-10-16(17)19(26)24-23-18(25)14-28-20(27)21(12-6-7-13-21)15-8-2-1-3-9-15/h1-5,8-11H,6-7,12-14H2,(H,23,25)(H,24,26)
InChIKeyCNXZZESMBKDNQS-UHFFFAOYSA-N
MW384.41 g/mol
LogP2.64
Rot. Bonds5

About [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate

[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate (PubChem CID 8610838) has the molecular formula C21H21FN2O4 and a molecular weight of 384.41 g/mol. Its IUPAC name is [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate.

Molecular Properties

Compound Name[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
PubChem CID8610838
Molecular FormulaC21H21FN2O4
Molecular Weight384.41 g/mol
Exact Mass384.15
IUPAC Name[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
SMILESO=C(COC(=O)C1(c2ccccc2)CCCC1)NNC(=O)c1ccccc1F
InChIInChI=1S/C21H21FN2O4/c22-17-11-5-4-10-16(17)19(26)24-23-18(25)14-28-20(27)21(12-6-7-13-21)15-8-2-1-3-9-15/h1-5,8-11H,6-7,12-14H2,(H,23,25)(H,24,26)
InChIKeyCNXZZESMBKDNQS-UHFFFAOYSA-N
XLogP2.64
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate 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

[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
CID 7455322
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
CID 8807699
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] adamantane-1-carboxylate
CID 7514436
(2-anilino-2-oxoethyl) 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 7866420
(2-anilino-2-oxoethyl) 1-phenylcyclobutane-1-carboxylate
CID 27097179
(2-anilino-2-oxoethyl) 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 2352376
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 8641781
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 2097143
[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
CID 8611557
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 1-phenylcyclopentane-1-carboxylate
CID 7455392
[2-oxo-2-(1-phenylethylamino)ethyl] 1-phenylcyclopentane-1-carboxylate
CID 18075665
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2,6-difluorobenzoate
CID 7725646

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate?
The IUPAC name of [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate (CID 8610838) is [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate.
What is the SMILES notation for [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate?
The canonical SMILES for [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate is O=C(COC(=O)C1(c2ccccc2)CCCC1)NNC(=O)c1ccccc1F.
What is the InChIKey of [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate?
The InChIKey is CNXZZESMBKDNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O4/c22-17-11-5-4-10-16(17)19(26)24-23-18(25)14-28-20(27)21(12-6-7-13-21)15-8-2-1-3-9-15/h1-5,8-11H,6-7,12-14H2,(H,23,25)(H,24,26).
What are the key properties of [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate?
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate has a molecular weight of 384.41 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate is sourced from PubChem (CID 8610838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).