N'-[2-(4-fluorophenoxy)propanoyl]-3,3-dimethylbutanehydrazide

C15H21FN2O3 — CID 46656768

IUPACN'-[2-(4-fluorophenoxy)propanoyl]-3,3-dimethylbutanehydrazide
SMILESCC(Oc1ccc(F)cc1)C(=O)NNC(=O)CC(C)(C)C
InChIInChI=1S/C15H21FN2O3/c1-10(21-12-7-5-11(16)6-8-12)14(20)18-17-13(19)9-15(2,3)4/h5-8,10H,9H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyKVFXGZPUIXFMFY-UHFFFAOYSA-N
MW296.34 g/mol
LogP2.18
Rot. Bonds4

About N'-[2-(4-fluorophenoxy)propanoyl]-3,3-dimethylbutanehydrazide

N'-[2-(4-fluorophenoxy)propanoyl]-3,3-dimethylbutanehydrazide (PubChem CID 46656768) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is N'-[2-(4-fluorophenoxy)propanoyl]-3,3-dimethylbutanehydrazide.

Molecular Properties

Compound NameN'-[2-(4-fluorophenoxy)propanoyl]-3,3-dimethylbutanehydrazide
PubChem CID46656768
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC NameN'-[2-(4-fluorophenoxy)propanoyl]-3,3-dimethylbutanehydrazide
SMILESCC(Oc1ccc(F)cc1)C(=O)NNC(=O)CC(C)(C)C
InChIInChI=1S/C15H21FN2O3/c1-10(21-12-7-5-11(16)6-8-12)14(20)18-17-13(19)9-15(2,3)4/h5-8,10H,9H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyKVFXGZPUIXFMFY-UHFFFAOYSA-N
XLogP2.18
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-[2-(4-fluorophenoxy)propanoyl]-3,3-dimethylbutanehydrazide 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-fluorophenoxy)-N'-[3-(4-fluorophenyl)propanoyl]propanehydrazide
CID 51195832
(2S)-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-2-(4-methoxyphenoxy)propanehydrazide
CID 42091432
(2S)-N'-[3-(4-tert-butylphenyl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide
CID 9160027
(2R)-N'-[2-(4-bromophenyl)acetyl]-2-(4-fluorophenoxy)propanehydrazide
CID 9368009
(2S)-N'-[2-(4-chlorophenoxy)acetyl]-2-(4-fluorophenoxy)propanehydrazide
CID 40611223
(2R)-N'-[2-(4-bromophenoxy)acetyl]-2-(4-fluorophenoxy)propanehydrazide
CID 7964947
(2R)-N'-(3-cyclopentylpropanoyl)-2-(4-fluorophenoxy)propanehydrazide
CID 7965228
2-(4-acetylphenoxy)-N'-[2-(4-fluorophenoxy)propanoyl]propanehydrazide
CID 24554519
N'-(2-cyclopentylacetyl)-2-(4-fluorophenoxy)propanehydrazide
CID 4820852
ethyl 4-[2-[(2S)-2-(4-fluorophenoxy)propanoyl]hydrazinyl]-4-oxobutanoate
CID 9091729
(2S)-N'-[3-(4-ethylphenyl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide
CID 9429083
(2S)-2-(4-fluorophenoxy)-N'-(2-naphthalen-2-yloxyacetyl)propanehydrazide
CID 9368212

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-fluorophenoxy)propanoyl]-3,3-dimethylbutanehydrazide?
The IUPAC name of N'-[2-(4-fluorophenoxy)propanoyl]-3,3-dimethylbutanehydrazide (CID 46656768) is N'-[2-(4-fluorophenoxy)propanoyl]-3,3-dimethylbutanehydrazide.
What is the SMILES notation for N'-[2-(4-fluorophenoxy)propanoyl]-3,3-dimethylbutanehydrazide?
The canonical SMILES for N'-[2-(4-fluorophenoxy)propanoyl]-3,3-dimethylbutanehydrazide is CC(Oc1ccc(F)cc1)C(=O)NNC(=O)CC(C)(C)C.
What is the InChIKey of N'-[2-(4-fluorophenoxy)propanoyl]-3,3-dimethylbutanehydrazide?
The InChIKey is KVFXGZPUIXFMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-10(21-12-7-5-11(16)6-8-12)14(20)18-17-13(19)9-15(2,3)4/h5-8,10H,9H2,1-4H3,(H,17,19)(H,18,20).
What are the key properties of N'-[2-(4-fluorophenoxy)propanoyl]-3,3-dimethylbutanehydrazide?
N'-[2-(4-fluorophenoxy)propanoyl]-3,3-dimethylbutanehydrazide has a molecular weight of 296.34 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-fluorophenoxy)propanoyl]-3,3-dimethylbutanehydrazide is sourced from PubChem (CID 46656768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).