1-(4-fluorophenyl)-3-(4-methoxy-2-methylphenyl)urea

C15H15FN2O2 — CID 6464883

IUPAC1-(4-fluorophenyl)-3-(4-methoxy-2-methylphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc(F)cc2)c(C)c1
InChIInChI=1S/C15H15FN2O2/c1-10-9-13(20-2)7-8-14(10)18-15(19)17-12-5-3-11(16)4-6-12/h3-9H,1-2H3,(H2,17,18,19)
InChIKeySKNMCQGDFAVTBV-UHFFFAOYSA-N
MW274.30 g/mol
LogP3.79
Rot. Bonds3

About 1-(4-fluorophenyl)-3-(4-methoxy-2-methylphenyl)urea

1-(4-fluorophenyl)-3-(4-methoxy-2-methylphenyl)urea (PubChem CID 6464883) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(4-methoxy-2-methylphenyl)urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(4-methoxy-2-methylphenyl)urea
PubChem CID6464883
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name1-(4-fluorophenyl)-3-(4-methoxy-2-methylphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc(F)cc2)c(C)c1
InChIInChI=1S/C15H15FN2O2/c1-10-9-13(20-2)7-8-14(10)18-15(19)17-12-5-3-11(16)4-6-12/h3-9H,1-2H3,(H2,17,18,19)
InChIKeySKNMCQGDFAVTBV-UHFFFAOYSA-N
XLogP3.79
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(4-methoxy-2-methylphenyl)urea?
The IUPAC name of 1-(4-fluorophenyl)-3-(4-methoxy-2-methylphenyl)urea (CID 6464883) is 1-(4-fluorophenyl)-3-(4-methoxy-2-methylphenyl)urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(4-methoxy-2-methylphenyl)urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-(4-methoxy-2-methylphenyl)urea is COc1ccc(NC(=O)Nc2ccc(F)cc2)c(C)c1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(4-methoxy-2-methylphenyl)urea?
The InChIKey is SKNMCQGDFAVTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-10-9-13(20-2)7-8-14(10)18-15(19)17-12-5-3-11(16)4-6-12/h3-9H,1-2H3,(H2,17,18,19).
What are the key properties of 1-(4-fluorophenyl)-3-(4-methoxy-2-methylphenyl)urea?
1-(4-fluorophenyl)-3-(4-methoxy-2-methylphenyl)urea has a molecular weight of 274.30 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(4-methoxy-2-methylphenyl)urea is sourced from PubChem (CID 6464883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).