1-(5-acetyl-4-hydroxy-2-methoxyphenyl)-3-(4-fluorophenyl)urea

C16H15FN2O4 — CID 162371292

IUPAC1-(5-acetyl-4-hydroxy-2-methoxyphenyl)-3-(4-fluorophenyl)urea
SMILESCOc1cc(O)c(C(C)=O)cc1NC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H15FN2O4/c1-9(20)12-7-13(15(23-2)8-14(12)21)19-16(22)18-11-5-3-10(17)4-6-11/h3-8,21H,1-2H3,(H2,18,19,22)
InChIKeyIBIXOOFKIPICBV-UHFFFAOYSA-N
MW318.30 g/mol
LogP3.39
Rot. Bonds4

About 1-(5-acetyl-4-hydroxy-2-methoxyphenyl)-3-(4-fluorophenyl)urea

1-(5-acetyl-4-hydroxy-2-methoxyphenyl)-3-(4-fluorophenyl)urea (PubChem CID 162371292) has the molecular formula C16H15FN2O4 and a molecular weight of 318.30 g/mol. Its IUPAC name is 1-(5-acetyl-4-hydroxy-2-methoxyphenyl)-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-(5-acetyl-4-hydroxy-2-methoxyphenyl)-3-(4-fluorophenyl)urea
PubChem CID162371292
Molecular FormulaC16H15FN2O4
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC Name1-(5-acetyl-4-hydroxy-2-methoxyphenyl)-3-(4-fluorophenyl)urea
SMILESCOc1cc(O)c(C(C)=O)cc1NC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H15FN2O4/c1-9(20)12-7-13(15(23-2)8-14(12)21)19-16(22)18-11-5-3-10(17)4-6-11/h3-8,21H,1-2H3,(H2,18,19,22)
InChIKeyIBIXOOFKIPICBV-UHFFFAOYSA-N
XLogP3.39
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-acetyl-4-hydroxy-2-methoxyphenyl)acetamide
CID 121366040
2-[(4-fluorophenyl)carbamoylamino]-4,5-dimethoxybenzoic acid
CID 16774686
1-[4-(aminomethyl)-2-methoxyphenyl]-3-(4-fluorophenyl)urea
CID 104848502
1-(5-hydroxy-2,4-dimethoxyphenyl)-3-phenylurea
CID 22099500
N-[4-[(4-chloro-2,5-dimethoxyphenyl)carbamoylamino]phenyl]acetamide
CID 108992307
1-(4-acetylphenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea
CID 17270458
1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)urea
CID 27870039
1-(5-fluoro-2-methylphenyl)-3-(4-methoxyphenyl)urea
CID 970666
N-(4-acetamidophenyl)-5-fluoro-2-methoxybenzamide
CID 31063829
1-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)urea
CID 16640797
N-[4-[(5-chloro-2-methoxyphenyl)carbamoylamino]phenyl]-2-fluorobenzamide
CID 141024299
4-fluoro-N-(3-fluoro-4-methoxyphenyl)-2-hydroxybenzamide
CID 103829787

Frequently Asked Questions

What is the IUPAC name of 1-(5-acetyl-4-hydroxy-2-methoxyphenyl)-3-(4-fluorophenyl)urea?
The IUPAC name of 1-(5-acetyl-4-hydroxy-2-methoxyphenyl)-3-(4-fluorophenyl)urea (CID 162371292) is 1-(5-acetyl-4-hydroxy-2-methoxyphenyl)-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-(5-acetyl-4-hydroxy-2-methoxyphenyl)-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-(5-acetyl-4-hydroxy-2-methoxyphenyl)-3-(4-fluorophenyl)urea is COc1cc(O)c(C(C)=O)cc1NC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 1-(5-acetyl-4-hydroxy-2-methoxyphenyl)-3-(4-fluorophenyl)urea?
The InChIKey is IBIXOOFKIPICBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O4/c1-9(20)12-7-13(15(23-2)8-14(12)21)19-16(22)18-11-5-3-10(17)4-6-11/h3-8,21H,1-2H3,(H2,18,19,22).
What are the key properties of 1-(5-acetyl-4-hydroxy-2-methoxyphenyl)-3-(4-fluorophenyl)urea?
1-(5-acetyl-4-hydroxy-2-methoxyphenyl)-3-(4-fluorophenyl)urea has a molecular weight of 318.30 g/mol, XLogP of 3.39, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-acetyl-4-hydroxy-2-methoxyphenyl)-3-(4-fluorophenyl)urea is sourced from PubChem (CID 162371292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).