2-(4-acetylphenoxy)-N'-[2-(4-fluorophenoxy)propanoyl]propanehydrazide

C20H21FN2O5 — CID 24554519

IUPAC2-(4-acetylphenoxy)-N'-[2-(4-fluorophenoxy)propanoyl]propanehydrazide
SMILESCC(=O)c1ccc(OC(C)C(=O)NNC(=O)C(C)Oc2ccc(F)cc2)cc1
InChIInChI=1S/C20H21FN2O5/c1-12(24)15-4-8-17(9-5-15)27-13(2)19(25)22-23-20(26)14(3)28-18-10-6-16(21)7-11-18/h4-11,13-14H,1-3H3,(H,22,25)(H,23,26)
InChIKeyCIYNLONVFKPMLV-UHFFFAOYSA-N
MW388.40 g/mol
LogP2.41
Rot. Bonds7

About 2-(4-acetylphenoxy)-N'-[2-(4-fluorophenoxy)propanoyl]propanehydrazide

2-(4-acetylphenoxy)-N'-[2-(4-fluorophenoxy)propanoyl]propanehydrazide (PubChem CID 24554519) has the molecular formula C20H21FN2O5 and a molecular weight of 388.40 g/mol. Its IUPAC name is 2-(4-acetylphenoxy)-N'-[2-(4-fluorophenoxy)propanoyl]propanehydrazide.

Molecular Properties

Compound Name2-(4-acetylphenoxy)-N'-[2-(4-fluorophenoxy)propanoyl]propanehydrazide
PubChem CID24554519
Molecular FormulaC20H21FN2O5
Molecular Weight388.40 g/mol
Exact Mass388.14
IUPAC Name2-(4-acetylphenoxy)-N'-[2-(4-fluorophenoxy)propanoyl]propanehydrazide
SMILESCC(=O)c1ccc(OC(C)C(=O)NNC(=O)C(C)Oc2ccc(F)cc2)cc1
InChIInChI=1S/C20H21FN2O5/c1-12(24)15-4-8-17(9-5-15)27-13(2)19(25)22-23-20(26)14(3)28-18-10-6-16(21)7-11-18/h4-11,13-14H,1-3H3,(H,22,25)(H,23,26)
InChIKeyCIYNLONVFKPMLV-UHFFFAOYSA-N
XLogP2.41
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-2-(4-methoxyphenoxy)propanehydrazide
CID 42091432
N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-propan-2-yloxybenzohydrazide
CID 7965233
N'-[(2R)-2-(4-bromophenoxy)propanoyl]-4-fluorobenzohydrazide
CID 9340444
4-chloro-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 24638274
N'-[(2S)-2-(4-chlorophenoxy)propanoyl]-4-fluorobenzohydrazide
CID 684854
3,5-difluoro-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 4820872
(2R)-2-(4-fluorophenoxy)-N-propan-2-ylpropanamide
CID 94335659
N'-[2-(4-fluorophenoxy)propanoyl]-3,3-dimethylbutanehydrazide
CID 46656768
N'-[2-(4-acetylphenoxy)propanoyl]-3,4-dimethoxybenzohydrazide
CID 24554535
3-chloro-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-hydroxybenzohydrazide
CID 31720433
2-(4-fluorophenoxy)-N'-[3-(4-fluorophenyl)propanoyl]propanehydrazide
CID 51195832
1-ethyl-3-[2-(4-fluorophenoxy)propanoylamino]thiourea
CID 17373324

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenoxy)-N'-[2-(4-fluorophenoxy)propanoyl]propanehydrazide?
The IUPAC name of 2-(4-acetylphenoxy)-N'-[2-(4-fluorophenoxy)propanoyl]propanehydrazide (CID 24554519) is 2-(4-acetylphenoxy)-N'-[2-(4-fluorophenoxy)propanoyl]propanehydrazide.
What is the SMILES notation for 2-(4-acetylphenoxy)-N'-[2-(4-fluorophenoxy)propanoyl]propanehydrazide?
The canonical SMILES for 2-(4-acetylphenoxy)-N'-[2-(4-fluorophenoxy)propanoyl]propanehydrazide is CC(=O)c1ccc(OC(C)C(=O)NNC(=O)C(C)Oc2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-acetylphenoxy)-N'-[2-(4-fluorophenoxy)propanoyl]propanehydrazide?
The InChIKey is CIYNLONVFKPMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O5/c1-12(24)15-4-8-17(9-5-15)27-13(2)19(25)22-23-20(26)14(3)28-18-10-6-16(21)7-11-18/h4-11,13-14H,1-3H3,(H,22,25)(H,23,26).
What are the key properties of 2-(4-acetylphenoxy)-N'-[2-(4-fluorophenoxy)propanoyl]propanehydrazide?
2-(4-acetylphenoxy)-N'-[2-(4-fluorophenoxy)propanoyl]propanehydrazide has a molecular weight of 388.40 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenoxy)-N'-[2-(4-fluorophenoxy)propanoyl]propanehydrazide is sourced from PubChem (CID 24554519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).