1-(3-fluorophenyl)-3-[(4-methylphenyl)methyl]urea

C15H15FN2O — CID 47154197

IUPAC1-(3-fluorophenyl)-3-[(4-methylphenyl)methyl]urea
SMILESCc1ccc(CNC(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C15H15FN2O/c1-11-5-7-12(8-6-11)10-17-15(19)18-14-4-2-3-13(16)9-14/h2-9H,10H2,1H3,(H2,17,18,19)
InChIKeyHIHYBZAFIHCLLU-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.46
Rot. Bonds3

About 1-(3-fluorophenyl)-3-[(4-methylphenyl)methyl]urea

1-(3-fluorophenyl)-3-[(4-methylphenyl)methyl]urea (PubChem CID 47154197) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[(4-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[(4-methylphenyl)methyl]urea
PubChem CID47154197
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name1-(3-fluorophenyl)-3-[(4-methylphenyl)methyl]urea
SMILESCc1ccc(CNC(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C15H15FN2O/c1-11-5-7-12(8-6-11)10-17-15(19)18-14-4-2-3-13(16)9-14/h2-9H,10H2,1H3,(H2,17,18,19)
InChIKeyHIHYBZAFIHCLLU-UHFFFAOYSA-N
XLogP3.46
TPSA41.13 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 ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)urea
CID 47172104
4-[[(3-fluorophenyl)carbamoylamino]methyl]-N-methylbenzamide
CID 86986467
1-(3-fluorophenyl)-3-[[4-[(1R)-1-hydroxyethyl]phenyl]methyl]urea
CID 94801333
1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-(3-fluorophenyl)urea
CID 55739918
1-(3-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3785527
N-(3-fluorophenyl)-2-[[N'-methyl-N-[(4-methylphenyl)methyl]carbamimidoyl]amino]acetamide
CID 111245387
N-[2-(3-fluoroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 49335487
1-(3-fluorophenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874691
1-(3,4-dimethylphenyl)-3-[(3-fluorophenyl)methyl]urea
CID 47192342
N-(3-fluorophenyl)-2-[(3-methylphenyl)carbamoylamino]acetamide
CID 772239
2-[(4-ethylphenyl)carbamoylamino]-N-(3-fluorophenyl)acetamide
CID 772260
1-[(3-fluorophenyl)methyl]-3-(3-methylsulfanylphenyl)urea
CID 47192931

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[(4-methylphenyl)methyl]urea?
The IUPAC name of 1-(3-fluorophenyl)-3-[(4-methylphenyl)methyl]urea (CID 47154197) is 1-(3-fluorophenyl)-3-[(4-methylphenyl)methyl]urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[(4-methylphenyl)methyl]urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-[(4-methylphenyl)methyl]urea is Cc1ccc(CNC(=O)Nc2cccc(F)c2)cc1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[(4-methylphenyl)methyl]urea?
The InChIKey is HIHYBZAFIHCLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-11-5-7-12(8-6-11)10-17-15(19)18-14-4-2-3-13(16)9-14/h2-9H,10H2,1H3,(H2,17,18,19).
What are the key properties of 1-(3-fluorophenyl)-3-[(4-methylphenyl)methyl]urea?
1-(3-fluorophenyl)-3-[(4-methylphenyl)methyl]urea has a molecular weight of 258.30 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[(4-methylphenyl)methyl]urea is sourced from PubChem (CID 47154197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).