1-[(2-fluorophenyl)methyl]-3-[1-(2-methylphenyl)ethyl]urea

C17H19FN2O — CID 51274243

IUPAC1-[(2-fluorophenyl)methyl]-3-[1-(2-methylphenyl)ethyl]urea
SMILESCc1ccccc1C(C)NC(=O)NCc1ccccc1F
InChIInChI=1S/C17H19FN2O/c1-12-7-3-5-9-15(12)13(2)20-17(21)19-11-14-8-4-6-10-16(14)18/h3-10,13H,11H2,1-2H3,(H2,19,20,21)
InChIKeyBQFJWIHWPIVNOU-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.69
Rot. Bonds4

About 1-[(2-fluorophenyl)methyl]-3-[1-(2-methylphenyl)ethyl]urea

1-[(2-fluorophenyl)methyl]-3-[1-(2-methylphenyl)ethyl]urea (PubChem CID 51274243) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-3-[1-(2-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-3-[1-(2-methylphenyl)ethyl]urea
PubChem CID51274243
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name1-[(2-fluorophenyl)methyl]-3-[1-(2-methylphenyl)ethyl]urea
SMILESCc1ccccc1C(C)NC(=O)NCc1ccccc1F
InChIInChI=1S/C17H19FN2O/c1-12-7-3-5-9-15(12)13(2)20-17(21)19-11-14-8-4-6-10-16(14)18/h3-10,13H,11H2,1-2H3,(H2,19,20,21)
InChIKeyBQFJWIHWPIVNOU-UHFFFAOYSA-N
XLogP3.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-fluorophenyl)-N-[1-(2-methylphenyl)ethyl]acetamide
CID 18082306
1-[(2-methoxyphenyl)methyl]-3-[(1S)-1-(2-methylphenyl)ethyl]urea
CID 38152013
1-[1-(4-ethoxyphenyl)ethyl]-3-[(2-fluorophenyl)methyl]urea
CID 16579741
N-ethyl-2-[(2-fluorophenyl)methylcarbamoylamino]propanamide
CID 47134375
1-(2,6-difluorophenyl)-3-[(2-methylphenyl)methyl]urea
CID 47133130
1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(1R)-1-(2-fluorophenyl)ethyl]urea
CID 30271365
1-[(2,3-dimethoxyphenyl)methyl]-3-[1-(2-fluorophenyl)ethyl]urea
CID 47065818
1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(1S)-1-(2-fluorophenyl)ethyl]urea
CID 30271369
2-hydroxy-3-[1-(2-methylphenyl)ethylcarbamoylamino]propanoic acid
CID 66167363
1-[1-(2,4-difluorophenyl)ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 110924294
1-[1-(2-methylphenyl)ethyl]-3-(pyridin-3-ylmethyl)urea
CID 47014443
1-[1-(2-methylphenyl)ethyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 42954650

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-3-[1-(2-methylphenyl)ethyl]urea?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-3-[1-(2-methylphenyl)ethyl]urea (CID 51274243) is 1-[(2-fluorophenyl)methyl]-3-[1-(2-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-3-[1-(2-methylphenyl)ethyl]urea?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-3-[1-(2-methylphenyl)ethyl]urea is Cc1ccccc1C(C)NC(=O)NCc1ccccc1F.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-3-[1-(2-methylphenyl)ethyl]urea?
The InChIKey is BQFJWIHWPIVNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-12-7-3-5-9-15(12)13(2)20-17(21)19-11-14-8-4-6-10-16(14)18/h3-10,13H,11H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-[(2-fluorophenyl)methyl]-3-[1-(2-methylphenyl)ethyl]urea?
1-[(2-fluorophenyl)methyl]-3-[1-(2-methylphenyl)ethyl]urea has a molecular weight of 286.35 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-3-[1-(2-methylphenyl)ethyl]urea is sourced from PubChem (CID 51274243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).