1-ethyl-3-(3-fluoro-4-hydroxyphenyl)urea

C9H11FN2O2 — CID 64781275

IUPAC1-ethyl-3-(3-fluoro-4-hydroxyphenyl)urea
SMILESCCNC(=O)Nc1ccc(O)c(F)c1
InChIInChI=1S/C9H11FN2O2/c1-2-11-9(14)12-6-3-4-8(13)7(10)5-6/h3-5,13H,2H2,1H3,(H2,11,12,14)
InChIKeyUSJQAJJRFCVSRK-UHFFFAOYSA-N
MW198.20 g/mol
LogP1.67
Rot. Bonds2

About 1-ethyl-3-(3-fluoro-4-hydroxyphenyl)urea

1-ethyl-3-(3-fluoro-4-hydroxyphenyl)urea (PubChem CID 64781275) has the molecular formula C9H11FN2O2 and a molecular weight of 198.20 g/mol. Its IUPAC name is 1-ethyl-3-(3-fluoro-4-hydroxyphenyl)urea.

Molecular Properties

Compound Name1-ethyl-3-(3-fluoro-4-hydroxyphenyl)urea
PubChem CID64781275
Molecular FormulaC9H11FN2O2
Molecular Weight198.20 g/mol
Exact Mass198.08
IUPAC Name1-ethyl-3-(3-fluoro-4-hydroxyphenyl)urea
SMILESCCNC(=O)Nc1ccc(O)c(F)c1
InChIInChI=1S/C9H11FN2O2/c1-2-11-9(14)12-6-3-4-8(13)7(10)5-6/h3-5,13H,2H2,1H3,(H2,11,12,14)
InChIKeyUSJQAJJRFCVSRK-UHFFFAOYSA-N
XLogP1.67
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-fluoro-4-hydroxyphenyl)acetamide
CID 3014069
1-(3-fluoro-4-hydroxyphenyl)-3-(2-phenylethyl)urea
CID 69008943
1-(4-acetylphenyl)-3-(3-fluoro-4-hydroxyphenyl)urea
CID 64782791
1,1-diethyl-3-(3-fluoro-4-hydroxyphenyl)urea
CID 79161967
4-(ethylamino)-2-fluorophenol
CID 64793889
1-(3-fluoro-4-hydroxyphenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 69011236
methyl N-(3-fluoro-4-hydroxyphenyl)carbamate
CID 64780328
3-(3-fluoro-4-hydroxyphenyl)-1,1-dimethylurea
CID 79154742
3-(3-fluoro-4-hydroxyanilino)-3-oxopropanoic acid
CID 64782793
N-(3-fluoro-4-hydroxyphenyl)-2-methylsulfanylacetamide
CID 64780305
N-(3-fluoro-4-hydroxyphenyl)-3-methylpentanamide
CID 114875158
4-ethyl-N-(3-fluoro-4-hydroxyphenyl)benzamide
CID 64780111

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(3-fluoro-4-hydroxyphenyl)urea?
The IUPAC name of 1-ethyl-3-(3-fluoro-4-hydroxyphenyl)urea (CID 64781275) is 1-ethyl-3-(3-fluoro-4-hydroxyphenyl)urea.
What is the SMILES notation for 1-ethyl-3-(3-fluoro-4-hydroxyphenyl)urea?
The canonical SMILES for 1-ethyl-3-(3-fluoro-4-hydroxyphenyl)urea is CCNC(=O)Nc1ccc(O)c(F)c1.
What is the InChIKey of 1-ethyl-3-(3-fluoro-4-hydroxyphenyl)urea?
The InChIKey is USJQAJJRFCVSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O2/c1-2-11-9(14)12-6-3-4-8(13)7(10)5-6/h3-5,13H,2H2,1H3,(H2,11,12,14).
What are the key properties of 1-ethyl-3-(3-fluoro-4-hydroxyphenyl)urea?
1-ethyl-3-(3-fluoro-4-hydroxyphenyl)urea has a molecular weight of 198.20 g/mol, XLogP of 1.67, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(3-fluoro-4-hydroxyphenyl)urea is sourced from PubChem (CID 64781275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).