3-(3-fluoro-4-hydroxyphenyl)-1,1-dimethylurea

C9H11FN2O2 — CID 79154742

IUPAC3-(3-fluoro-4-hydroxyphenyl)-1,1-dimethylurea
SMILESCN(C)C(=O)Nc1ccc(O)c(F)c1
InChIInChI=1S/C9H11FN2O2/c1-12(2)9(14)11-6-3-4-8(13)7(10)5-6/h3-5,13H,1-2H3,(H,11,14)
InChIKeyKDFUMHPKNKRMQJ-UHFFFAOYSA-N
MW198.20 g/mol
LogP1.62
Rot. Bonds1

About 3-(3-fluoro-4-hydroxyphenyl)-1,1-dimethylurea

3-(3-fluoro-4-hydroxyphenyl)-1,1-dimethylurea (PubChem CID 79154742) has the molecular formula C9H11FN2O2 and a molecular weight of 198.20 g/mol. Its IUPAC name is 3-(3-fluoro-4-hydroxyphenyl)-1,1-dimethylurea.

Molecular Properties

Compound Name3-(3-fluoro-4-hydroxyphenyl)-1,1-dimethylurea
PubChem CID79154742
Molecular FormulaC9H11FN2O2
Molecular Weight198.20 g/mol
Exact Mass198.08
IUPAC Name3-(3-fluoro-4-hydroxyphenyl)-1,1-dimethylurea
SMILESCN(C)C(=O)Nc1ccc(O)c(F)c1
InChIInChI=1S/C9H11FN2O2/c1-12(2)9(14)11-6-3-4-8(13)7(10)5-6/h3-5,13H,1-2H3,(H,11,14)
InChIKeyKDFUMHPKNKRMQJ-UHFFFAOYSA-N
XLogP1.62
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

1,1-diethyl-3-(3-fluoro-4-hydroxyphenyl)urea
CID 79161967
N-(3-fluoro-4-hydroxyphenyl)acetamide
CID 3014069
methyl N-(3-fluoro-4-hydroxyphenyl)carbamate
CID 64780328
3-[3-(aminomethyl)-4-fluorophenyl]-1,1-dimethylurea
CID 79154504
1-ethyl-3-(3-fluoro-4-hydroxyphenyl)urea
CID 64781275
3-(3-fluoro-4-hydroxyanilino)-3-oxopropanoic acid
CID 64782793
1-(4-acetylphenyl)-3-(3-fluoro-4-hydroxyphenyl)urea
CID 64782791
N-(3-fluoro-4-hydroxyphenyl)-2-methylsulfanylacetamide
CID 64780305
3,4,5-trifluoro-N-(3-fluoro-4-hydroxyphenyl)benzamide
CID 64782946
N-(3-fluoro-4-hydroxyphenyl)cyclopropanecarboxamide
CID 64780100
2-fluoro-N-(3-fluoro-4-hydroxyphenyl)-5-methylbenzamide
CID 64780308
N-(3-fluoro-4-hydroxyphenyl)pyridine-4-carboxamide
CID 64780099

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-hydroxyphenyl)-1,1-dimethylurea?
The IUPAC name of 3-(3-fluoro-4-hydroxyphenyl)-1,1-dimethylurea (CID 79154742) is 3-(3-fluoro-4-hydroxyphenyl)-1,1-dimethylurea.
What is the SMILES notation for 3-(3-fluoro-4-hydroxyphenyl)-1,1-dimethylurea?
The canonical SMILES for 3-(3-fluoro-4-hydroxyphenyl)-1,1-dimethylurea is CN(C)C(=O)Nc1ccc(O)c(F)c1.
What is the InChIKey of 3-(3-fluoro-4-hydroxyphenyl)-1,1-dimethylurea?
The InChIKey is KDFUMHPKNKRMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O2/c1-12(2)9(14)11-6-3-4-8(13)7(10)5-6/h3-5,13H,1-2H3,(H,11,14).
What are the key properties of 3-(3-fluoro-4-hydroxyphenyl)-1,1-dimethylurea?
3-(3-fluoro-4-hydroxyphenyl)-1,1-dimethylurea has a molecular weight of 198.20 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-hydroxyphenyl)-1,1-dimethylurea is sourced from PubChem (CID 79154742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).