3-[(2-fluoro-5-methylphenyl)methyl]-1-hydroxy-1-methylurea

C10H13FN2O2 — CID 59946035

IUPAC3-[(2-fluoro-5-methylphenyl)methyl]-1-hydroxy-1-methylurea
SMILESCc1ccc(F)c(CNC(=O)N(C)O)c1
InChIInChI=1S/C10H13FN2O2/c1-7-3-4-9(11)8(5-7)6-12-10(14)13(2)15/h3-5,15H,6H2,1-2H3,(H,12,14)
InChIKeyJTCGLUSLTWWDMC-UHFFFAOYSA-N
MW212.22 g/mol
LogP1.66
Rot. Bonds2

About 3-[(2-fluoro-5-methylphenyl)methyl]-1-hydroxy-1-methylurea

3-[(2-fluoro-5-methylphenyl)methyl]-1-hydroxy-1-methylurea (PubChem CID 59946035) has the molecular formula C10H13FN2O2 and a molecular weight of 212.22 g/mol. Its IUPAC name is 3-[(2-fluoro-5-methylphenyl)methyl]-1-hydroxy-1-methylurea.

Molecular Properties

Compound Name3-[(2-fluoro-5-methylphenyl)methyl]-1-hydroxy-1-methylurea
PubChem CID59946035
Molecular FormulaC10H13FN2O2
Molecular Weight212.22 g/mol
Exact Mass212.10
IUPAC Name3-[(2-fluoro-5-methylphenyl)methyl]-1-hydroxy-1-methylurea
SMILESCc1ccc(F)c(CNC(=O)N(C)O)c1
InChIInChI=1S/C10H13FN2O2/c1-7-3-4-9(11)8(5-7)6-12-10(14)13(2)15/h3-5,15H,6H2,1-2H3,(H,12,14)
InChIKeyJTCGLUSLTWWDMC-UHFFFAOYSA-N
XLogP1.66
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[(2-fluoro-5-methylphenyl)methyl]-1-hydroxy-1-methylurea 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

3-[(2-fluoro-5-methylphenyl)methyl-methylamino]propanoic acid
CID 106835027
N-[(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 61033867
N-ethyl-2-[(2-fluoro-5-methylphenyl)methylamino]-N-methylacetamide
CID 104923539
N-ethyl-2-[(2-fluoro-5-methylphenyl)methylamino]acetamide
CID 115632183
3-[(5-bromo-2-fluorophenyl)methyl]-1-ethyl-1-methylurea
CID 78917173
1,1,1-trifluoro-N-[(2-fluoro-5-methylphenyl)methyl]methanesulfonamide
CID 66604301
2-fluoro-N-[(2-fluorophenyl)methyl]-5-methylbenzamide
CID 62510380
2-fluoro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline
CID 114053781
(2,5-difluorophenyl)methylcarbamic acid
CID 21076562
1-[(2,5-difluorophenyl)methyl]-3-(2,4-dimethylphenyl)urea
CID 3714808
1-(2-fluoro-5-methylphenyl)-4-methylpentan-2-one
CID 149183535
3-[(2,5-difluorophenyl)methyl]-1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]urea
CID 111722396

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluoro-5-methylphenyl)methyl]-1-hydroxy-1-methylurea?
The IUPAC name of 3-[(2-fluoro-5-methylphenyl)methyl]-1-hydroxy-1-methylurea (CID 59946035) is 3-[(2-fluoro-5-methylphenyl)methyl]-1-hydroxy-1-methylurea.
What is the SMILES notation for 3-[(2-fluoro-5-methylphenyl)methyl]-1-hydroxy-1-methylurea?
The canonical SMILES for 3-[(2-fluoro-5-methylphenyl)methyl]-1-hydroxy-1-methylurea is Cc1ccc(F)c(CNC(=O)N(C)O)c1.
What is the InChIKey of 3-[(2-fluoro-5-methylphenyl)methyl]-1-hydroxy-1-methylurea?
The InChIKey is JTCGLUSLTWWDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2/c1-7-3-4-9(11)8(5-7)6-12-10(14)13(2)15/h3-5,15H,6H2,1-2H3,(H,12,14).
What are the key properties of 3-[(2-fluoro-5-methylphenyl)methyl]-1-hydroxy-1-methylurea?
3-[(2-fluoro-5-methylphenyl)methyl]-1-hydroxy-1-methylurea has a molecular weight of 212.22 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluoro-5-methylphenyl)methyl]-1-hydroxy-1-methylurea is sourced from PubChem (CID 59946035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).