1-benzyl-3-[(4-fluorophenyl)methyl]-1-phenylurea

C21H19FN2O — CID 108867698

IUPAC1-benzyl-3-[(4-fluorophenyl)methyl]-1-phenylurea
SMILESO=C(NCc1ccc(F)cc1)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H19FN2O/c22-19-13-11-17(12-14-19)15-23-21(25)24(20-9-5-2-6-10-20)16-18-7-3-1-4-8-18/h1-14H,15-16H2,(H,23,25)
InChIKeyDRIXLDRNKSJBPL-UHFFFAOYSA-N
MW334.39 g/mol
LogP4.74
Rot. Bonds5

About 1-benzyl-3-[(4-fluorophenyl)methyl]-1-phenylurea

1-benzyl-3-[(4-fluorophenyl)methyl]-1-phenylurea (PubChem CID 108867698) has the molecular formula C21H19FN2O and a molecular weight of 334.39 g/mol. Its IUPAC name is 1-benzyl-3-[(4-fluorophenyl)methyl]-1-phenylurea.

Molecular Properties

Compound Name1-benzyl-3-[(4-fluorophenyl)methyl]-1-phenylurea
PubChem CID108867698
Molecular FormulaC21H19FN2O
Molecular Weight334.39 g/mol
Exact Mass334.15
IUPAC Name1-benzyl-3-[(4-fluorophenyl)methyl]-1-phenylurea
SMILESO=C(NCc1ccc(F)cc1)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H19FN2O/c22-19-13-11-17(12-14-19)15-23-21(25)24(20-9-5-2-6-10-20)16-18-7-3-1-4-8-18/h1-14H,15-16H2,(H,23,25)
InChIKeyDRIXLDRNKSJBPL-UHFFFAOYSA-N
XLogP4.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-3-[(3-fluorophenyl)methyl]-1-phenylurea
CID 108898536
3-benzyl-1-[[4-(hydrazinecarbonyl)phenyl]methyl]-1-phenylurea
CID 140895002
1-benzyl-1-ethyl-3-[(4-fluorophenyl)methyl]urea
CID 38151425
1-benzyl-1-phenyl-3-(pyridin-3-ylmethyl)urea
CID 110706293
1-benzyl-3-[(2-chlorophenyl)methyl]-1-phenylurea
CID 108897704
N'-ethyl-N-[(4-fluorophenyl)methyl]-N'-phenyloxamide
CID 108518654
1-benzyl-3-[2-(2-fluorophenyl)ethyl]-1-phenylurea
CID 108900086
2-[3-[tert-butylcarbamoyl-[(4-fluorophenyl)methyl]amino]phenyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 46056347
N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide
CID 91939014
1-benzyl-3-(phenoxymethyl)-1-phenylurea
CID 108888948
1-N,1-N'-dibenzyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108974862
1-benzyl-3-[2-(4-bromophenyl)ethyl]-1-phenylurea
CID 108902393

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(4-fluorophenyl)methyl]-1-phenylurea?
The IUPAC name of 1-benzyl-3-[(4-fluorophenyl)methyl]-1-phenylurea (CID 108867698) is 1-benzyl-3-[(4-fluorophenyl)methyl]-1-phenylurea.
What is the SMILES notation for 1-benzyl-3-[(4-fluorophenyl)methyl]-1-phenylurea?
The canonical SMILES for 1-benzyl-3-[(4-fluorophenyl)methyl]-1-phenylurea is O=C(NCc1ccc(F)cc1)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzyl-3-[(4-fluorophenyl)methyl]-1-phenylurea?
The InChIKey is DRIXLDRNKSJBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O/c22-19-13-11-17(12-14-19)15-23-21(25)24(20-9-5-2-6-10-20)16-18-7-3-1-4-8-18/h1-14H,15-16H2,(H,23,25).
What are the key properties of 1-benzyl-3-[(4-fluorophenyl)methyl]-1-phenylurea?
1-benzyl-3-[(4-fluorophenyl)methyl]-1-phenylurea has a molecular weight of 334.39 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(4-fluorophenyl)methyl]-1-phenylurea is sourced from PubChem (CID 108867698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).