N'-(2-cyclopentylacetyl)-2-(4-fluorophenoxy)propanehydrazide

C16H21FN2O3 — CID 4820852

IUPACN'-(2-cyclopentylacetyl)-2-(4-fluorophenoxy)propanehydrazide
SMILESCC(Oc1ccc(F)cc1)C(=O)NNC(=O)CC1CCCC1
InChIInChI=1S/C16H21FN2O3/c1-11(22-14-8-6-13(17)7-9-14)16(21)19-18-15(20)10-12-4-2-3-5-12/h6-9,11-12H,2-5,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyQQDGGNSTUUYAPO-UHFFFAOYSA-N
MW308.35 g/mol
LogP2.32
Rot. Bonds5

About N'-(2-cyclopentylacetyl)-2-(4-fluorophenoxy)propanehydrazide

N'-(2-cyclopentylacetyl)-2-(4-fluorophenoxy)propanehydrazide (PubChem CID 4820852) has the molecular formula C16H21FN2O3 and a molecular weight of 308.35 g/mol. Its IUPAC name is N'-(2-cyclopentylacetyl)-2-(4-fluorophenoxy)propanehydrazide.

Molecular Properties

Compound NameN'-(2-cyclopentylacetyl)-2-(4-fluorophenoxy)propanehydrazide
PubChem CID4820852
Molecular FormulaC16H21FN2O3
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC NameN'-(2-cyclopentylacetyl)-2-(4-fluorophenoxy)propanehydrazide
SMILESCC(Oc1ccc(F)cc1)C(=O)NNC(=O)CC1CCCC1
InChIInChI=1S/C16H21FN2O3/c1-11(22-14-8-6-13(17)7-9-14)16(21)19-18-15(20)10-12-4-2-3-5-12/h6-9,11-12H,2-5,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyQQDGGNSTUUYAPO-UHFFFAOYSA-N
XLogP2.32
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N'-(3-cyclopentylpropanoyl)-2-(4-fluorophenoxy)propanehydrazide
CID 7965228
(2R)-N'-(2-cyclopentylacetyl)-2-(4-ethoxyphenoxy)propanehydrazide
CID 9343458
4-cyclohexyl-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]butanehydrazide
CID 7965238
(2S)-N'-[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]-2-(4-fluorophenoxy)propanehydrazide
CID 9160548
(2R)-N'-[3-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoyl]-2-(4-fluorophenoxy)propanehydrazide
CID 7965115
N'-[2-(4-fluorophenoxy)propanoyl]-3,3-dimethylbutanehydrazide
CID 46656768
N-cyclooctyl-2-(4-fluorophenoxy)propanamide
CID 42909316
2-(4-fluorophenoxy)-N'-[3-(4-fluorophenyl)propanoyl]propanehydrazide
CID 51195832
(2S)-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-2-(4-methoxyphenoxy)propanehydrazide
CID 42091432
N-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(4-fluorophenoxy)propanamide
CID 51127399
(2R)-N'-[2-(4-bromophenoxy)acetyl]-2-(4-fluorophenoxy)propanehydrazide
CID 7964947
(2R)-N'-[2-(4-bromophenyl)acetyl]-2-(4-fluorophenoxy)propanehydrazide
CID 9368009

Frequently Asked Questions

What is the IUPAC name of N'-(2-cyclopentylacetyl)-2-(4-fluorophenoxy)propanehydrazide?
The IUPAC name of N'-(2-cyclopentylacetyl)-2-(4-fluorophenoxy)propanehydrazide (CID 4820852) is N'-(2-cyclopentylacetyl)-2-(4-fluorophenoxy)propanehydrazide.
What is the SMILES notation for N'-(2-cyclopentylacetyl)-2-(4-fluorophenoxy)propanehydrazide?
The canonical SMILES for N'-(2-cyclopentylacetyl)-2-(4-fluorophenoxy)propanehydrazide is CC(Oc1ccc(F)cc1)C(=O)NNC(=O)CC1CCCC1.
What is the InChIKey of N'-(2-cyclopentylacetyl)-2-(4-fluorophenoxy)propanehydrazide?
The InChIKey is QQDGGNSTUUYAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O3/c1-11(22-14-8-6-13(17)7-9-14)16(21)19-18-15(20)10-12-4-2-3-5-12/h6-9,11-12H,2-5,10H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N'-(2-cyclopentylacetyl)-2-(4-fluorophenoxy)propanehydrazide?
N'-(2-cyclopentylacetyl)-2-(4-fluorophenoxy)propanehydrazide has a molecular weight of 308.35 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyclopentylacetyl)-2-(4-fluorophenoxy)propanehydrazide is sourced from PubChem (CID 4820852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).