[(2S)-1-[2-[(2S)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]urea

C15H21FN4O4 — CID 9372574

IUPAC[(2S)-1-[2-[(2S)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]urea
SMILESCC(C)[C@H](NC(N)=O)C(=O)NNC(=O)[C@H](C)Oc1ccccc1F
InChIInChI=1S/C15H21FN4O4/c1-8(2)12(18-15(17)23)14(22)20-19-13(21)9(3)24-11-7-5-4-6-10(11)16/h4-9,12H,1-3H3,(H,19,21)(H,20,22)(H3,17,18,23)/t9-,12-/m0/s1
InChIKeyIVEPRIFSRBUHAK-CABZTGNLSA-N
MW340.36 g/mol
LogP0.43
Rot. Bonds6

About [(2S)-1-[2-[(2S)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]urea

[(2S)-1-[2-[(2S)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]urea (PubChem CID 9372574) has the molecular formula C15H21FN4O4 and a molecular weight of 340.36 g/mol. Its IUPAC name is [(2S)-1-[2-[(2S)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]urea.

Molecular Properties

Compound Name[(2S)-1-[2-[(2S)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]urea
PubChem CID9372574
Molecular FormulaC15H21FN4O4
Molecular Weight340.36 g/mol
Exact Mass340.15
IUPAC Name[(2S)-1-[2-[(2S)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]urea
SMILESCC(C)[C@H](NC(N)=O)C(=O)NNC(=O)[C@H](C)Oc1ccccc1F
InChIInChI=1S/C15H21FN4O4/c1-8(2)12(18-15(17)23)14(22)20-19-13(21)9(3)24-11-7-5-4-6-10(11)16/h4-9,12H,1-3H3,(H,19,21)(H,20,22)(H3,17,18,23)/t9-,12-/m0/s1
InChIKeyIVEPRIFSRBUHAK-CABZTGNLSA-N
XLogP0.43
TPSA122.55 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 50.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,6-difluoro-N-[1-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55342334
[3-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-oxo-1-phenylpropyl]urea
CID 18286571
[1-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea
CID 18158789
(2S)-N-carbamoyl-2-(2-fluorophenoxy)propanamide
CID 7815239
2-(2-fluorophenoxy)-N'-[2-(2-fluorophenoxy)acetyl]propanehydrazide
CID 51156370
2-(2-fluorophenoxy)-N'-(2-methoxyacetyl)propanehydrazide
CID 47102861
1-[[(2S)-2-(2-fluorophenoxy)propanoyl]amino]-3-methylthiourea
CID 8767721
(2R)-N'-[2-(4-bromophenyl)acetyl]-2-(2-fluorophenoxy)propanehydrazide
CID 7910909
2-(2-fluorophenoxy)-N'-[3-(4-fluorophenyl)propanoyl]propanehydrazide
CID 51195433
N-[3-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-oxo-1-phenylpropyl]acetamide
CID 24982102
N'-[2-(2-fluorophenoxy)propanoyl]cyclobutanecarbohydrazide
CID 18158775
1-[[(2R)-2-(2-fluorophenoxy)propanoyl]amino]-3-(2-methoxyphenyl)urea
CID 51980854

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[2-[(2S)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]urea?
The IUPAC name of [(2S)-1-[2-[(2S)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]urea (CID 9372574) is [(2S)-1-[2-[(2S)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]urea.
What is the SMILES notation for [(2S)-1-[2-[(2S)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]urea?
The canonical SMILES for [(2S)-1-[2-[(2S)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]urea is CC(C)[C@H](NC(N)=O)C(=O)NNC(=O)[C@H](C)Oc1ccccc1F.
What is the InChIKey of [(2S)-1-[2-[(2S)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]urea?
The InChIKey is IVEPRIFSRBUHAK-CABZTGNLSA-N. The full InChI is InChI=1S/C15H21FN4O4/c1-8(2)12(18-15(17)23)14(22)20-19-13(21)9(3)24-11-7-5-4-6-10(11)16/h4-9,12H,1-3H3,(H,19,21)(H,20,22)(H3,17,18,23)/t9-,12-/m0/s1.
What are the key properties of [(2S)-1-[2-[(2S)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]urea?
[(2S)-1-[2-[(2S)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]urea has a molecular weight of 340.36 g/mol, XLogP of 0.43, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[2-[(2S)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]urea is sourced from PubChem (CID 9372574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).