[(2S,3S)-1-[2-(4-fluorobenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]urea

C14H19FN4O3 — CID 9037878

IUPAC[(2S,3S)-1-[2-(4-fluorobenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]urea
SMILESCC[C@H](C)[C@H](NC(N)=O)C(=O)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C14H19FN4O3/c1-3-8(2)11(17-14(16)22)13(21)19-18-12(20)9-4-6-10(15)7-5-9/h4-8,11H,3H2,1-2H3,(H,18,20)(H,19,21)(H3,16,17,22)/t8-,11-/m0/s1
InChIKeyOFSNCCYQLKPCKE-KWQFWETISA-N
MW310.33 g/mol
LogP0.67
Rot. Bonds5

About [(2S,3S)-1-[2-(4-fluorobenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]urea

[(2S,3S)-1-[2-(4-fluorobenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]urea (PubChem CID 9037878) has the molecular formula C14H19FN4O3 and a molecular weight of 310.33 g/mol. Its IUPAC name is [(2S,3S)-1-[2-(4-fluorobenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]urea.

Molecular Properties

Compound Name[(2S,3S)-1-[2-(4-fluorobenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]urea
PubChem CID9037878
Molecular FormulaC14H19FN4O3
Molecular Weight310.33 g/mol
Exact Mass310.14
IUPAC Name[(2S,3S)-1-[2-(4-fluorobenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]urea
SMILESCC[C@H](C)[C@H](NC(N)=O)C(=O)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C14H19FN4O3/c1-3-8(2)11(17-14(16)22)13(21)19-18-12(20)9-4-6-10(15)7-5-9/h4-8,11H,3H2,1-2H3,(H,18,20)(H,19,21)(H3,16,17,22)/t8-,11-/m0/s1
InChIKeyOFSNCCYQLKPCKE-KWQFWETISA-N
XLogP0.67
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 50.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(2S,3S)-1-[2-(4-fluorobenzoyl)hydrazinyl]-3-methyl-1-oxopentan-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-(4-tert-butylbenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]urea
CID 24634948
N-[1-[2-(4-fluorobenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 78512632
[1-[2-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]urea
CID 42905279
[3-methyl-1-[2-[4-(3-methylbutoxy)benzoyl]hydrazinyl]-1-oxopentan-2-yl]urea
CID 24637501
[(2S,3S)-1-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]urea
CID 8942230
N-[1-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 46521359
N-[(2S,3S)-1-[2-(4-chlorobenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 7613124
4-[[2-(carbamoylamino)-3-methylpentanoyl]amino]benzamide
CID 24640883
[(2S)-1-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]urea
CID 9379100
2-benzamido-N-[1-(2-benzoylhydrazinyl)-3-methyl-1-oxopentan-2-yl]benzamide
CID 3455596
[(2S,3S)-1-[2-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]urea
CID 9425353
[(2S,3S)-3-methyl-1-oxo-1-[2-(3-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinyl]pentan-2-yl]urea
CID 18774750

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-1-[2-(4-fluorobenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]urea?
The IUPAC name of [(2S,3S)-1-[2-(4-fluorobenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]urea (CID 9037878) is [(2S,3S)-1-[2-(4-fluorobenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]urea.
What is the SMILES notation for [(2S,3S)-1-[2-(4-fluorobenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]urea?
The canonical SMILES for [(2S,3S)-1-[2-(4-fluorobenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]urea is CC[C@H](C)[C@H](NC(N)=O)C(=O)NNC(=O)c1ccc(F)cc1.
What is the InChIKey of [(2S,3S)-1-[2-(4-fluorobenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]urea?
The InChIKey is OFSNCCYQLKPCKE-KWQFWETISA-N. The full InChI is InChI=1S/C14H19FN4O3/c1-3-8(2)11(17-14(16)22)13(21)19-18-12(20)9-4-6-10(15)7-5-9/h4-8,11H,3H2,1-2H3,(H,18,20)(H,19,21)(H3,16,17,22)/t8-,11-/m0/s1.
What are the key properties of [(2S,3S)-1-[2-(4-fluorobenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]urea?
[(2S,3S)-1-[2-(4-fluorobenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]urea has a molecular weight of 310.33 g/mol, XLogP of 0.67, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-1-[2-(4-fluorobenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]urea is sourced from PubChem (CID 9037878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).