1-(4-fluoro-2-propan-2-ylphenyl)-3-methoxyurea

C11H15FN2O2 — CID 134177615

IUPAC1-(4-fluoro-2-propan-2-ylphenyl)-3-methoxyurea
SMILESCONC(=O)Nc1ccc(F)cc1C(C)C
InChIInChI=1S/C11H15FN2O2/c1-7(2)9-6-8(12)4-5-10(9)13-11(15)14-16-3/h4-7H,1-3H3,(H2,13,14,15)
InChIKeyVEPRHOYREGLLHN-UHFFFAOYSA-N
MW226.25 g/mol
LogP2.63
Rot. Bonds3

About 1-(4-fluoro-2-propan-2-ylphenyl)-3-methoxyurea

1-(4-fluoro-2-propan-2-ylphenyl)-3-methoxyurea (PubChem CID 134177615) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 1-(4-fluoro-2-propan-2-ylphenyl)-3-methoxyurea.

Molecular Properties

Compound Name1-(4-fluoro-2-propan-2-ylphenyl)-3-methoxyurea
PubChem CID134177615
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name1-(4-fluoro-2-propan-2-ylphenyl)-3-methoxyurea
SMILESCONC(=O)Nc1ccc(F)cc1C(C)C
InChIInChI=1S/C11H15FN2O2/c1-7(2)9-6-8(12)4-5-10(9)13-11(15)14-16-3/h4-7H,1-3H3,(H2,13,14,15)
InChIKeyVEPRHOYREGLLHN-UHFFFAOYSA-N
XLogP2.63
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethoxy-4-fluorophenyl)-3-methoxyurea
CID 75415528
N-[(4-fluoro-2-propan-2-ylphenyl)carbamothioyl]benzamide
CID 89373096
(2R)-2-amino-N-(4-fluoro-2-methoxyphenyl)-3-methylbutanamide
CID 79013529
1-(4-amino-2-methoxyphenyl)-3-(2,4-difluorophenyl)urea
CID 43288460
methyl 2-(2,5-difluorophenyl)propanoate
CID 62801922
1-(4-fluoro-2-methylphenyl)-3-(1-methoxypropan-2-yl)urea
CID 51080192
1,1,1-trifluoro-N-(4-fluoro-2-propan-2-ylphenyl)methanesulfonamide
CID 130409599
1-(2,4-difluorophenyl)-3-(2-fluoro-4-propan-2-ylphenyl)urea
CID 146780735
3-(4-fluoro-2-methoxyanilino)-2-methyl-3-oxopropanoic acid
CID 114898275
4-fluoro-1-methoxy-2-propan-2-ylbenzene
CID 53399241
1-(4-fluoro-2-methoxyphenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 111473635
1-methoxy-3-(3-propan-2-yl-2-pyridinyl)urea
CID 134178395

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-propan-2-ylphenyl)-3-methoxyurea?
The IUPAC name of 1-(4-fluoro-2-propan-2-ylphenyl)-3-methoxyurea (CID 134177615) is 1-(4-fluoro-2-propan-2-ylphenyl)-3-methoxyurea.
What is the SMILES notation for 1-(4-fluoro-2-propan-2-ylphenyl)-3-methoxyurea?
The canonical SMILES for 1-(4-fluoro-2-propan-2-ylphenyl)-3-methoxyurea is CONC(=O)Nc1ccc(F)cc1C(C)C.
What is the InChIKey of 1-(4-fluoro-2-propan-2-ylphenyl)-3-methoxyurea?
The InChIKey is VEPRHOYREGLLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-7(2)9-6-8(12)4-5-10(9)13-11(15)14-16-3/h4-7H,1-3H3,(H2,13,14,15).
What are the key properties of 1-(4-fluoro-2-propan-2-ylphenyl)-3-methoxyurea?
1-(4-fluoro-2-propan-2-ylphenyl)-3-methoxyurea has a molecular weight of 226.25 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-propan-2-ylphenyl)-3-methoxyurea is sourced from PubChem (CID 134177615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).