1-(2-fluoro-5-methylphenyl)-3-(3-methoxyphenyl)urea

C15H15FN2O2 — CID 2209390

IUPAC1-(2-fluoro-5-methylphenyl)-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2cc(C)ccc2F)c1
InChIInChI=1S/C15H15FN2O2/c1-10-6-7-13(16)14(8-10)18-15(19)17-11-4-3-5-12(9-11)20-2/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyWCYNFXFNXQVLND-UHFFFAOYSA-N
MW274.30 g/mol
LogP3.79
Rot. Bonds3

About 1-(2-fluoro-5-methylphenyl)-3-(3-methoxyphenyl)urea

1-(2-fluoro-5-methylphenyl)-3-(3-methoxyphenyl)urea (PubChem CID 2209390) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylphenyl)-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(2-fluoro-5-methylphenyl)-3-(3-methoxyphenyl)urea
PubChem CID2209390
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name1-(2-fluoro-5-methylphenyl)-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2cc(C)ccc2F)c1
InChIInChI=1S/C15H15FN2O2/c1-10-6-7-13(16)14(8-10)18-15(19)17-11-4-3-5-12(9-11)20-2/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyWCYNFXFNXQVLND-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-(2-fluoro-5-methylphenyl)-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-(2-fluoro-5-methylphenyl)-3-(3-methoxyphenyl)urea (CID 2209390) is 1-(2-fluoro-5-methylphenyl)-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-(2-fluoro-5-methylphenyl)-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-(2-fluoro-5-methylphenyl)-3-(3-methoxyphenyl)urea is COc1cccc(NC(=O)Nc2cc(C)ccc2F)c1.
What is the InChIKey of 1-(2-fluoro-5-methylphenyl)-3-(3-methoxyphenyl)urea?
The InChIKey is WCYNFXFNXQVLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-10-6-7-13(16)14(8-10)18-15(19)17-11-4-3-5-12(9-11)20-2/h3-9H,1-2H3,(H2,17,18,19).
What are the key properties of 1-(2-fluoro-5-methylphenyl)-3-(3-methoxyphenyl)urea?
1-(2-fluoro-5-methylphenyl)-3-(3-methoxyphenyl)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-(2-fluoro-5-methylphenyl)-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 2209390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).