1,1-dibenzyl-3-[2-(4-fluorophenyl)ethyl]urea

C23H23FN2O — CID 108902120

IUPAC1,1-dibenzyl-3-[2-(4-fluorophenyl)ethyl]urea
SMILESO=C(NCCc1ccc(F)cc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H23FN2O/c24-22-13-11-19(12-14-22)15-16-25-23(27)26(17-20-7-3-1-4-8-20)18-21-9-5-2-6-10-21/h1-14H,15-18H2,(H,25,27)
InChIKeyJNWLQSDRGBWYSP-UHFFFAOYSA-N
MW362.45 g/mol
LogP4.78
Rot. Bonds7

About 1,1-dibenzyl-3-[2-(4-fluorophenyl)ethyl]urea

1,1-dibenzyl-3-[2-(4-fluorophenyl)ethyl]urea (PubChem CID 108902120) has the molecular formula C23H23FN2O and a molecular weight of 362.45 g/mol. Its IUPAC name is 1,1-dibenzyl-3-[2-(4-fluorophenyl)ethyl]urea.

Molecular Properties

Compound Name1,1-dibenzyl-3-[2-(4-fluorophenyl)ethyl]urea
PubChem CID108902120
Molecular FormulaC23H23FN2O
Molecular Weight362.45 g/mol
Exact Mass362.18
IUPAC Name1,1-dibenzyl-3-[2-(4-fluorophenyl)ethyl]urea
SMILESO=C(NCCc1ccc(F)cc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H23FN2O/c24-22-13-11-19(12-14-22)15-16-25-23(27)26(17-20-7-3-1-4-8-20)18-21-9-5-2-6-10-21/h1-14H,15-18H2,(H,25,27)
InChIKeyJNWLQSDRGBWYSP-UHFFFAOYSA-N
XLogP4.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,1-dibenzyl-3-[2-(4-methylphenyl)ethyl]urea
CID 108891110
N'-[2-(4-fluorophenyl)ethyl]-N-(2-phenylethyl)oxamide
CID 3117526
1-benzyl-1-ethyl-3-[2-(4-methylphenyl)ethyl]urea
CID 108891107
N-benzyl-N-ethyl-N'-[2-(4-fluorophenyl)ethyl]-2,2-dimethylpropanediamide
CID 108963223
1,1,3-tris(2-phenylethyl)urea
CID 123287811
N-[2-(4-fluorophenyl)ethyl]-4-phenylbutanamide
CID 2288121
1-benzyl-1-ethyl-3-[(4-fluorophenyl)methyl]urea
CID 38151425
1-ethyl-1-[(4-methoxyphenyl)methyl]-3-(2-phenylethyl)urea
CID 71889703
2-[benzyl(ethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 78787355
3-[ethyl-[2-(4-fluorophenyl)ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 62854086
2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-(2-phenylethyl)acetamide
CID 113150994
1-ethyl-3-[2-(4-fluorophenyl)ethyl]-1-methylurea
CID 115603517

Frequently Asked Questions

What is the IUPAC name of 1,1-dibenzyl-3-[2-(4-fluorophenyl)ethyl]urea?
The IUPAC name of 1,1-dibenzyl-3-[2-(4-fluorophenyl)ethyl]urea (CID 108902120) is 1,1-dibenzyl-3-[2-(4-fluorophenyl)ethyl]urea.
What is the SMILES notation for 1,1-dibenzyl-3-[2-(4-fluorophenyl)ethyl]urea?
The canonical SMILES for 1,1-dibenzyl-3-[2-(4-fluorophenyl)ethyl]urea is O=C(NCCc1ccc(F)cc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 1,1-dibenzyl-3-[2-(4-fluorophenyl)ethyl]urea?
The InChIKey is JNWLQSDRGBWYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O/c24-22-13-11-19(12-14-22)15-16-25-23(27)26(17-20-7-3-1-4-8-20)18-21-9-5-2-6-10-21/h1-14H,15-18H2,(H,25,27).
What are the key properties of 1,1-dibenzyl-3-[2-(4-fluorophenyl)ethyl]urea?
1,1-dibenzyl-3-[2-(4-fluorophenyl)ethyl]urea has a molecular weight of 362.45 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibenzyl-3-[2-(4-fluorophenyl)ethyl]urea is sourced from PubChem (CID 108902120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).