1-benzyl-3-[2-(2,4-difluorophenyl)ethyl]urea

C16H16F2N2O — CID 110775874

IUPAC1-benzyl-3-[2-(2,4-difluorophenyl)ethyl]urea
SMILESO=C(NCCc1ccc(F)cc1F)NCc1ccccc1
InChIInChI=1S/C16H16F2N2O/c17-14-7-6-13(15(18)10-14)8-9-19-16(21)20-11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H2,19,20,21)
InChIKeyQJLAKWUQUQDRMJ-UHFFFAOYSA-N
MW290.31 g/mol
LogP3.01
Rot. Bonds5

About 1-benzyl-3-[2-(2,4-difluorophenyl)ethyl]urea

1-benzyl-3-[2-(2,4-difluorophenyl)ethyl]urea (PubChem CID 110775874) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is 1-benzyl-3-[2-(2,4-difluorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[2-(2,4-difluorophenyl)ethyl]urea
PubChem CID110775874
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Name1-benzyl-3-[2-(2,4-difluorophenyl)ethyl]urea
SMILESO=C(NCCc1ccc(F)cc1F)NCc1ccccc1
InChIInChI=1S/C16H16F2N2O/c17-14-7-6-13(15(18)10-14)8-9-19-16(21)20-11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H2,19,20,21)
InChIKeyQJLAKWUQUQDRMJ-UHFFFAOYSA-N
XLogP3.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(2,4-difluorophenyl)ethyl]-3-(2-hydroxy-3-phenylpropyl)urea
CID 111118085
1-benzyl-3-[2-(2,4-difluorophenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111546324
1-[(3-fluorophenyl)methyl]-3-(2-phenylethyl)urea
CID 47172429
1-[2-(2,4-dichlorophenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea
CID 108988923
1-[2-(2-fluorophenyl)ethyl]-3-[(4-methylphenyl)methyl]urea
CID 51290890
S-phenyl N-[2-(2,4-difluorophenyl)ethyl]carbamothioate
CID 19986428
N-[2-(2,4-difluorophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 110789003
1-[2-(4-fluorophenyl)ethyl]-3-[(3-fluorophenyl)methyl]urea
CID 108898570
N-[2-(2,4-difluorophenyl)ethyl]-2-hydroxy-2-phenylacetamide
CID 111538524
N-[2-(2,4-difluorophenyl)ethyl]-2-hydroxyacetamide
CID 115140069
2-(benzylcarbamoylamino)-N-[2-(3-fluorophenyl)ethyl]acetamide
CID 34450279
1-[2-(2-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea
CID 3255337

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[2-(2,4-difluorophenyl)ethyl]urea?
The IUPAC name of 1-benzyl-3-[2-(2,4-difluorophenyl)ethyl]urea (CID 110775874) is 1-benzyl-3-[2-(2,4-difluorophenyl)ethyl]urea.
What is the SMILES notation for 1-benzyl-3-[2-(2,4-difluorophenyl)ethyl]urea?
The canonical SMILES for 1-benzyl-3-[2-(2,4-difluorophenyl)ethyl]urea is O=C(NCCc1ccc(F)cc1F)NCc1ccccc1.
What is the InChIKey of 1-benzyl-3-[2-(2,4-difluorophenyl)ethyl]urea?
The InChIKey is QJLAKWUQUQDRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c17-14-7-6-13(15(18)10-14)8-9-19-16(21)20-11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H2,19,20,21).
What are the key properties of 1-benzyl-3-[2-(2,4-difluorophenyl)ethyl]urea?
1-benzyl-3-[2-(2,4-difluorophenyl)ethyl]urea has a molecular weight of 290.31 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[2-(2,4-difluorophenyl)ethyl]urea is sourced from PubChem (CID 110775874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).