N'-(2-cyclopent-2-en-1-ylacetyl)-2-(2-fluorophenoxy)propanehydrazide

C16H19FN2O3 — CID 46653754

IUPACN'-(2-cyclopent-2-en-1-ylacetyl)-2-(2-fluorophenoxy)propanehydrazide
SMILESCC(Oc1ccccc1F)C(=O)NNC(=O)CC1C=CCC1
InChIInChI=1S/C16H19FN2O3/c1-11(22-14-9-5-4-8-13(14)17)16(21)19-18-15(20)10-12-6-2-3-7-12/h2,4-6,8-9,11-12H,3,7,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyCGXPBPMOHCOTHJ-UHFFFAOYSA-N
MW306.34 g/mol
LogP2.10
Rot. Bonds5

About N'-(2-cyclopent-2-en-1-ylacetyl)-2-(2-fluorophenoxy)propanehydrazide

N'-(2-cyclopent-2-en-1-ylacetyl)-2-(2-fluorophenoxy)propanehydrazide (PubChem CID 46653754) has the molecular formula C16H19FN2O3 and a molecular weight of 306.34 g/mol. Its IUPAC name is N'-(2-cyclopent-2-en-1-ylacetyl)-2-(2-fluorophenoxy)propanehydrazide.

Molecular Properties

Compound NameN'-(2-cyclopent-2-en-1-ylacetyl)-2-(2-fluorophenoxy)propanehydrazide
PubChem CID46653754
Molecular FormulaC16H19FN2O3
Molecular Weight306.34 g/mol
Exact Mass306.14
IUPAC NameN'-(2-cyclopent-2-en-1-ylacetyl)-2-(2-fluorophenoxy)propanehydrazide
SMILESCC(Oc1ccccc1F)C(=O)NNC(=O)CC1C=CCC1
InChIInChI=1S/C16H19FN2O3/c1-11(22-14-9-5-4-8-13(14)17)16(21)19-18-15(20)10-12-6-2-3-7-12/h2,4-6,8-9,11-12H,3,7,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyCGXPBPMOHCOTHJ-UHFFFAOYSA-N
XLogP2.10
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluorophenoxy)-N'-(2-methoxyacetyl)propanehydrazide
CID 47102861
2-(2-fluorophenoxy)-N'-[2-(2-fluorophenoxy)acetyl]propanehydrazide
CID 51156370
N'-(2-cyclopent-2-en-1-ylacetyl)-2-fluorobenzohydrazide
CID 47113476
N'-[2-(2-fluorophenoxy)propanoyl]cyclobutanecarbohydrazide
CID 18158775
(2S)-N'-[2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetyl]-2-(2-fluorophenoxy)propanehydrazide
CID 9373593
N-[2-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]adamantane-1-carboxamide
CID 46799227
2-(2-fluorophenoxy)-N'-[3-(4-fluorophenyl)propanoyl]propanehydrazide
CID 51195433
(2R)-N'-[2-(4-bromophenyl)acetyl]-2-(2-fluorophenoxy)propanehydrazide
CID 7910909
N'-[2-(2-tert-butylphenoxy)acetyl]-2-(2-fluorophenoxy)propanehydrazide
CID 46653812
(2S)-N'-[2-(4-chlorophenoxy)acetyl]-2-(2-fluorophenoxy)propanehydrazide
CID 7927413
(2S)-N'-[2-(2,6-dichlorophenyl)acetyl]-2-(2-fluorophenoxy)propanehydrazide
CID 7760988
(2S)-2-(2-fluorophenoxy)-N'-[2-(4-fluorophenyl)sulfanylacetyl]propanehydrazide
CID 7910833

Frequently Asked Questions

What is the IUPAC name of N'-(2-cyclopent-2-en-1-ylacetyl)-2-(2-fluorophenoxy)propanehydrazide?
The IUPAC name of N'-(2-cyclopent-2-en-1-ylacetyl)-2-(2-fluorophenoxy)propanehydrazide (CID 46653754) is N'-(2-cyclopent-2-en-1-ylacetyl)-2-(2-fluorophenoxy)propanehydrazide.
What is the SMILES notation for N'-(2-cyclopent-2-en-1-ylacetyl)-2-(2-fluorophenoxy)propanehydrazide?
The canonical SMILES for N'-(2-cyclopent-2-en-1-ylacetyl)-2-(2-fluorophenoxy)propanehydrazide is CC(Oc1ccccc1F)C(=O)NNC(=O)CC1C=CCC1.
What is the InChIKey of N'-(2-cyclopent-2-en-1-ylacetyl)-2-(2-fluorophenoxy)propanehydrazide?
The InChIKey is CGXPBPMOHCOTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O3/c1-11(22-14-9-5-4-8-13(14)17)16(21)19-18-15(20)10-12-6-2-3-7-12/h2,4-6,8-9,11-12H,3,7,10H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N'-(2-cyclopent-2-en-1-ylacetyl)-2-(2-fluorophenoxy)propanehydrazide?
N'-(2-cyclopent-2-en-1-ylacetyl)-2-(2-fluorophenoxy)propanehydrazide has a molecular weight of 306.34 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyclopent-2-en-1-ylacetyl)-2-(2-fluorophenoxy)propanehydrazide is sourced from PubChem (CID 46653754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).