[(3-fluorophenyl)-(4-methylphenyl)methyl]urea

C15H15FN2O — CID 2851563

IUPAC[(3-fluorophenyl)-(4-methylphenyl)methyl]urea
SMILESCc1ccc(C(NC(N)=O)c2cccc(F)c2)cc1
InChIInChI=1S/C15H15FN2O/c1-10-5-7-11(8-6-10)14(18-15(17)19)12-3-2-4-13(16)9-12/h2-9,14H,1H3,(H3,17,18,19)
InChIKeyAPMMEUOURIWFJK-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.89
Rot. Bonds3

About [(3-fluorophenyl)-(4-methylphenyl)methyl]urea

[(3-fluorophenyl)-(4-methylphenyl)methyl]urea (PubChem CID 2851563) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is [(3-fluorophenyl)-(4-methylphenyl)methyl]urea.

Molecular Properties

Compound Name[(3-fluorophenyl)-(4-methylphenyl)methyl]urea
PubChem CID2851563
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name[(3-fluorophenyl)-(4-methylphenyl)methyl]urea
SMILESCc1ccc(C(NC(N)=O)c2cccc(F)c2)cc1
InChIInChI=1S/C15H15FN2O/c1-10-5-7-11(8-6-10)14(18-15(17)19)12-3-2-4-13(16)9-12/h2-9,14H,1H3,(H3,17,18,19)
InChIKeyAPMMEUOURIWFJK-UHFFFAOYSA-N
XLogP2.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(3-fluorophenyl)-(4-methylphenyl)methyl]urea?
The IUPAC name of [(3-fluorophenyl)-(4-methylphenyl)methyl]urea (CID 2851563) is [(3-fluorophenyl)-(4-methylphenyl)methyl]urea.
What is the SMILES notation for [(3-fluorophenyl)-(4-methylphenyl)methyl]urea?
The canonical SMILES for [(3-fluorophenyl)-(4-methylphenyl)methyl]urea is Cc1ccc(C(NC(N)=O)c2cccc(F)c2)cc1.
What is the InChIKey of [(3-fluorophenyl)-(4-methylphenyl)methyl]urea?
The InChIKey is APMMEUOURIWFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-10-5-7-11(8-6-10)14(18-15(17)19)12-3-2-4-13(16)9-12/h2-9,14H,1H3,(H3,17,18,19).
What are the key properties of [(3-fluorophenyl)-(4-methylphenyl)methyl]urea?
[(3-fluorophenyl)-(4-methylphenyl)methyl]urea has a molecular weight of 258.30 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-fluorophenyl)-(4-methylphenyl)methyl]urea is sourced from PubChem (CID 2851563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).