[1-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea

C19H21FN4O4 — CID 18158789

IUPAC[1-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea
SMILESCC(Oc1ccccc1F)C(=O)NNC(=O)C(Cc1ccccc1)NC(N)=O
InChIInChI=1S/C19H21FN4O4/c1-12(28-16-10-6-5-9-14(16)20)17(25)23-24-18(26)15(22-19(21)27)11-13-7-3-2-4-8-13/h2-10,12,15H,11H2,1H3,(H,23,25)(H,24,26)(H3,21,22,27)
InChIKeyMKBJLJYVQGPYJF-UHFFFAOYSA-N
MW388.40 g/mol
LogP1.02
Rot. Bonds7

About [1-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea

[1-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea (PubChem CID 18158789) has the molecular formula C19H21FN4O4 and a molecular weight of 388.40 g/mol. Its IUPAC name is [1-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea.

Molecular Properties

Compound Name[1-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea
PubChem CID18158789
Molecular FormulaC19H21FN4O4
Molecular Weight388.40 g/mol
Exact Mass388.15
IUPAC Name[1-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea
SMILESCC(Oc1ccccc1F)C(=O)NNC(=O)C(Cc1ccccc1)NC(N)=O
InChIInChI=1S/C19H21FN4O4/c1-12(28-16-10-6-5-9-14(16)20)17(25)23-24-18(26)15(22-19(21)27)11-13-7-3-2-4-8-13/h2-10,12,15H,11H2,1H3,(H,23,25)(H,24,26)(H3,21,22,27)
InChIKeyMKBJLJYVQGPYJF-UHFFFAOYSA-N
XLogP1.02
TPSA122.55 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 51.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [1-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea 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

[1-[2-[2-(2,3-dimethylphenoxy)propanoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea
CID 18158764
[(2S)-1-[2-[(2S)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]urea
CID 9372574
[3-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-oxo-1-phenylpropyl]urea
CID 18286571
(2S)-N-carbamoyl-2-(2-fluorophenoxy)propanamide
CID 7815239
2-(2-fluorophenoxy)-N'-[2-(2-fluorophenoxy)acetyl]propanehydrazide
CID 51156370
2-(carbamoylamino)-N-(2-fluorophenyl)-3-phenylpropanamide
CID 18161294
2-(2-fluorophenoxy)-N'-(2-methoxyacetyl)propanehydrazide
CID 47102861
[1-[2-[2-(2,6-dimethylphenoxy)acetyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea
CID 18158810
2-(2-fluorophenoxy)-N'-[3-(4-fluorophenyl)propanoyl]propanehydrazide
CID 51195433
(2R)-N'-[2-(4-bromophenyl)acetyl]-2-(2-fluorophenoxy)propanehydrazide
CID 7910909
N-[3-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-oxo-1-phenylpropyl]acetamide
CID 24982102
1-[[(2S)-2-(2-fluorophenoxy)propanoyl]amino]-3-methylthiourea
CID 8767721

Frequently Asked Questions

What is the IUPAC name of [1-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea?
The IUPAC name of [1-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea (CID 18158789) is [1-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea.
What is the SMILES notation for [1-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea?
The canonical SMILES for [1-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea is CC(Oc1ccccc1F)C(=O)NNC(=O)C(Cc1ccccc1)NC(N)=O.
What is the InChIKey of [1-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea?
The InChIKey is MKBJLJYVQGPYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O4/c1-12(28-16-10-6-5-9-14(16)20)17(25)23-24-18(26)15(22-19(21)27)11-13-7-3-2-4-8-13/h2-10,12,15H,11H2,1H3,(H,23,25)(H,24,26)(H3,21,22,27).
What are the key properties of [1-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea?
[1-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea has a molecular weight of 388.40 g/mol, XLogP of 1.02, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea is sourced from PubChem (CID 18158789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).