1,1-diethyl-3-(3-fluoro-4-hydroxyphenyl)urea

C11H15FN2O2 — CID 79161967

IUPAC1,1-diethyl-3-(3-fluoro-4-hydroxyphenyl)urea
SMILESCCN(CC)C(=O)Nc1ccc(O)c(F)c1
InChIInChI=1S/C11H15FN2O2/c1-3-14(4-2)11(16)13-8-5-6-10(15)9(12)7-8/h5-7,15H,3-4H2,1-2H3,(H,13,16)
InChIKeyCWUPTJIHBBBKBA-UHFFFAOYSA-N
MW226.25 g/mol
LogP2.40
Rot. Bonds3

About 1,1-diethyl-3-(3-fluoro-4-hydroxyphenyl)urea

1,1-diethyl-3-(3-fluoro-4-hydroxyphenyl)urea (PubChem CID 79161967) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 1,1-diethyl-3-(3-fluoro-4-hydroxyphenyl)urea.

Molecular Properties

Compound Name1,1-diethyl-3-(3-fluoro-4-hydroxyphenyl)urea
PubChem CID79161967
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name1,1-diethyl-3-(3-fluoro-4-hydroxyphenyl)urea
SMILESCCN(CC)C(=O)Nc1ccc(O)c(F)c1
InChIInChI=1S/C11H15FN2O2/c1-3-14(4-2)11(16)13-8-5-6-10(15)9(12)7-8/h5-7,15H,3-4H2,1-2H3,(H,13,16)
InChIKeyCWUPTJIHBBBKBA-UHFFFAOYSA-N
XLogP2.40
TPSA52.57 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 ≤ 52.40
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

3-(3-fluoro-4-hydroxyphenyl)-1,1-dimethylurea
CID 79154742
N-(3-fluoro-4-hydroxyphenyl)acetamide
CID 3014069
1,1-diethyl-3-(3-fluoro-4-pyrrolidin-1-ylphenyl)urea
CID 47264836
1-ethyl-3-(3-fluoro-4-hydroxyphenyl)urea
CID 64781275
N-(3-fluoro-4-hydroxyphenyl)-3-methylpentanamide
CID 114875158
1-benzyl-3-(3,4-difluorophenyl)-1-ethylurea
CID 108989076
2-[ethyl-[(4-fluoro-3-methylphenyl)carbamoyl]amino]acetic acid
CID 62813606
methyl N-(3-fluoro-4-hydroxyphenyl)carbamate
CID 64780328
3-(3-fluoro-4-hydroxyanilino)-3-oxopropanoic acid
CID 64782793
3-(3-amino-4-bromophenyl)-1,1-diethylurea
CID 79767901
N-(3-fluoro-4-hydroxyphenyl)-2-methylsulfanylacetamide
CID 64780305
4-ethyl-N-(3-fluoro-4-hydroxyphenyl)benzamide
CID 64780111

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-(3-fluoro-4-hydroxyphenyl)urea?
The IUPAC name of 1,1-diethyl-3-(3-fluoro-4-hydroxyphenyl)urea (CID 79161967) is 1,1-diethyl-3-(3-fluoro-4-hydroxyphenyl)urea.
What is the SMILES notation for 1,1-diethyl-3-(3-fluoro-4-hydroxyphenyl)urea?
The canonical SMILES for 1,1-diethyl-3-(3-fluoro-4-hydroxyphenyl)urea is CCN(CC)C(=O)Nc1ccc(O)c(F)c1.
What is the InChIKey of 1,1-diethyl-3-(3-fluoro-4-hydroxyphenyl)urea?
The InChIKey is CWUPTJIHBBBKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-3-14(4-2)11(16)13-8-5-6-10(15)9(12)7-8/h5-7,15H,3-4H2,1-2H3,(H,13,16).
What are the key properties of 1,1-diethyl-3-(3-fluoro-4-hydroxyphenyl)urea?
1,1-diethyl-3-(3-fluoro-4-hydroxyphenyl)urea has a molecular weight of 226.25 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-(3-fluoro-4-hydroxyphenyl)urea is sourced from PubChem (CID 79161967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).