1-[1-(2,4-difluorophenyl)ethyl]-1-hydroxy-3-methylurea

C10H12F2N2O2 — CID 19780481

IUPAC1-[1-(2,4-difluorophenyl)ethyl]-1-hydroxy-3-methylurea
SMILESCNC(=O)N(O)C(C)c1ccc(F)cc1F
InChIInChI=1S/C10H12F2N2O2/c1-6(14(16)10(15)13-2)8-4-3-7(11)5-9(8)12/h3-6,16H,1-2H3,(H,13,15)
InChIKeyFJXZIZGEXLVAMC-UHFFFAOYSA-N
MW230.21 g/mol
LogP2.06
Rot. Bonds2

About 1-[1-(2,4-difluorophenyl)ethyl]-1-hydroxy-3-methylurea

1-[1-(2,4-difluorophenyl)ethyl]-1-hydroxy-3-methylurea (PubChem CID 19780481) has the molecular formula C10H12F2N2O2 and a molecular weight of 230.21 g/mol. Its IUPAC name is 1-[1-(2,4-difluorophenyl)ethyl]-1-hydroxy-3-methylurea.

Molecular Properties

Compound Name1-[1-(2,4-difluorophenyl)ethyl]-1-hydroxy-3-methylurea
PubChem CID19780481
Molecular FormulaC10H12F2N2O2
Molecular Weight230.21 g/mol
Exact Mass230.09
IUPAC Name1-[1-(2,4-difluorophenyl)ethyl]-1-hydroxy-3-methylurea
SMILESCNC(=O)N(O)C(C)c1ccc(F)cc1F
InChIInChI=1S/C10H12F2N2O2/c1-6(14(16)10(15)13-2)8-4-3-7(11)5-9(8)12/h3-6,16H,1-2H3,(H,13,15)
InChIKeyFJXZIZGEXLVAMC-UHFFFAOYSA-N
XLogP2.06
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 52.06
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-difluorophenyl)ethyl]-1-hydroxy-3-methylurea?
The IUPAC name of 1-[1-(2,4-difluorophenyl)ethyl]-1-hydroxy-3-methylurea (CID 19780481) is 1-[1-(2,4-difluorophenyl)ethyl]-1-hydroxy-3-methylurea.
What is the SMILES notation for 1-[1-(2,4-difluorophenyl)ethyl]-1-hydroxy-3-methylurea?
The canonical SMILES for 1-[1-(2,4-difluorophenyl)ethyl]-1-hydroxy-3-methylurea is CNC(=O)N(O)C(C)c1ccc(F)cc1F.
What is the InChIKey of 1-[1-(2,4-difluorophenyl)ethyl]-1-hydroxy-3-methylurea?
The InChIKey is FJXZIZGEXLVAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O2/c1-6(14(16)10(15)13-2)8-4-3-7(11)5-9(8)12/h3-6,16H,1-2H3,(H,13,15).
What are the key properties of 1-[1-(2,4-difluorophenyl)ethyl]-1-hydroxy-3-methylurea?
1-[1-(2,4-difluorophenyl)ethyl]-1-hydroxy-3-methylurea has a molecular weight of 230.21 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-difluorophenyl)ethyl]-1-hydroxy-3-methylurea is sourced from PubChem (CID 19780481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).