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

C15H13FN2O3 — CID 64782791

IUPAC1-(4-acetylphenyl)-3-(3-fluoro-4-hydroxyphenyl)urea
SMILESCC(=O)c1ccc(NC(=O)Nc2ccc(O)c(F)c2)cc1
InChIInChI=1S/C15H13FN2O3/c1-9(19)10-2-4-11(5-3-10)17-15(21)18-12-6-7-14(20)13(16)8-12/h2-8,20H,1H3,(H2,17,18,21)
InChIKeyLASCWYRBKRPMLU-UHFFFAOYSA-N
MW288.28 g/mol
LogP3.38
Rot. Bonds3

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

1-(4-acetylphenyl)-3-(3-fluoro-4-hydroxyphenyl)urea (PubChem CID 64782791) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-(3-fluoro-4-hydroxyphenyl)urea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-(3-fluoro-4-hydroxyphenyl)urea
PubChem CID64782791
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Name1-(4-acetylphenyl)-3-(3-fluoro-4-hydroxyphenyl)urea
SMILESCC(=O)c1ccc(NC(=O)Nc2ccc(O)c(F)c2)cc1
InChIInChI=1S/C15H13FN2O3/c1-9(19)10-2-4-11(5-3-10)17-15(21)18-12-6-7-14(20)13(16)8-12/h2-8,20H,1H3,(H2,17,18,21)
InChIKeyLASCWYRBKRPMLU-UHFFFAOYSA-N
XLogP3.38
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(4-acetylphenyl)-3-(3,5-dihydroxyphenyl)urea
CID 108895413
4-acetyl-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide
CID 64781477
1-ethyl-3-(3-fluoro-4-hydroxyphenyl)urea
CID 64781275
methyl N-(3-fluoro-4-hydroxyphenyl)carbamate
CID 64780328
3-(3-fluoro-4-hydroxyphenyl)-1,1-dimethylurea
CID 79154742
4-ethyl-N-(3-fluoro-4-hydroxyphenyl)benzamide
CID 64780111
N-(4-acetylphenyl)acetamide;fluoromethane
CID 160517938
3,4,5-trifluoro-N-(3-fluoro-4-hydroxyphenyl)benzamide
CID 64782946
1-(4-acetylphenyl)-3-(2-methyl-4-pyridinyl)urea
CID 84521860
1-(3-cyanophenyl)-3-(3-fluoro-4-hydroxyphenyl)urea
CID 64780329
N-(3-fluoro-4-hydroxyphenyl)pyridine-4-carboxamide
CID 64780099

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-(3-fluoro-4-hydroxyphenyl)urea?
The IUPAC name of 1-(4-acetylphenyl)-3-(3-fluoro-4-hydroxyphenyl)urea (CID 64782791) is 1-(4-acetylphenyl)-3-(3-fluoro-4-hydroxyphenyl)urea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-(3-fluoro-4-hydroxyphenyl)urea?
The canonical SMILES for 1-(4-acetylphenyl)-3-(3-fluoro-4-hydroxyphenyl)urea is CC(=O)c1ccc(NC(=O)Nc2ccc(O)c(F)c2)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-3-(3-fluoro-4-hydroxyphenyl)urea?
The InChIKey is LASCWYRBKRPMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3/c1-9(19)10-2-4-11(5-3-10)17-15(21)18-12-6-7-14(20)13(16)8-12/h2-8,20H,1H3,(H2,17,18,21).
What are the key properties of 1-(4-acetylphenyl)-3-(3-fluoro-4-hydroxyphenyl)urea?
1-(4-acetylphenyl)-3-(3-fluoro-4-hydroxyphenyl)urea has a molecular weight of 288.28 g/mol, XLogP of 3.38, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-(3-fluoro-4-hydroxyphenyl)urea is sourced from PubChem (CID 64782791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).