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

C17H19FN2O — CID 38945345

IUPAC1-benzyl-1-ethyl-3-[(2-fluorophenyl)methyl]urea
SMILESCCN(Cc1ccccc1)C(=O)NCc1ccccc1F
InChIInChI=1S/C17H19FN2O/c1-2-20(13-14-8-4-3-5-9-14)17(21)19-12-15-10-6-7-11-16(15)18/h3-11H,2,12-13H2,1H3,(H,19,21)
InChIKeyMZIZIELKOUFVOM-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.56
Rot. Bonds5

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

1-benzyl-1-ethyl-3-[(2-fluorophenyl)methyl]urea (PubChem CID 38945345) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 1-benzyl-1-ethyl-3-[(2-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-benzyl-1-ethyl-3-[(2-fluorophenyl)methyl]urea
PubChem CID38945345
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name1-benzyl-1-ethyl-3-[(2-fluorophenyl)methyl]urea
SMILESCCN(Cc1ccccc1)C(=O)NCc1ccccc1F
InChIInChI=1S/C17H19FN2O/c1-2-20(13-14-8-4-3-5-9-14)17(21)19-12-15-10-6-7-11-16(15)18/h3-11H,2,12-13H2,1H3,(H,19,21)
InChIKeyMZIZIELKOUFVOM-UHFFFAOYSA-N
XLogP3.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-1-ethyl-3-[(4-fluorophenyl)methyl]urea
CID 38151425
1-benzyl-1-ethyl-3-[(4-methylphenyl)methyl]urea
CID 108899084
1-benzyl-3-[(3-chlorophenyl)methyl]-1-ethylurea
CID 110301185
3-[(2-fluorophenyl)methyl]-1,1-bis(2-methoxyethyl)urea
CID 108897546
1-[(4-bromophenyl)methyl]-3-[(2-fluorophenyl)methyl]-1-methylurea
CID 38945216
N-benzyl-N-ethyl-3-[2-(2-fluorophenyl)ethylamino]propanamide
CID 109022875
1-benzyl-3-(3,4-difluorophenyl)-1-ethylurea
CID 108989076
1-benzyl-3-[2-(2-fluorophenyl)ethyl]-1-(2-methoxyethyl)urea
CID 86931400
N,N-diethyl-2-[(2-fluorophenyl)methylamino]acetamide
CID 28582548
3-[(2,4-difluorophenyl)methyl]-1,1-diethylurea
CID 115598131
1-benzyl-3-(2,4-difluorophenyl)-1-ethylurea
CID 108989059
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-ethyl-3-[(2-fluorophenyl)methyl]urea?
The IUPAC name of 1-benzyl-1-ethyl-3-[(2-fluorophenyl)methyl]urea (CID 38945345) is 1-benzyl-1-ethyl-3-[(2-fluorophenyl)methyl]urea.
What is the SMILES notation for 1-benzyl-1-ethyl-3-[(2-fluorophenyl)methyl]urea?
The canonical SMILES for 1-benzyl-1-ethyl-3-[(2-fluorophenyl)methyl]urea is CCN(Cc1ccccc1)C(=O)NCc1ccccc1F.
What is the InChIKey of 1-benzyl-1-ethyl-3-[(2-fluorophenyl)methyl]urea?
The InChIKey is MZIZIELKOUFVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-2-20(13-14-8-4-3-5-9-14)17(21)19-12-15-10-6-7-11-16(15)18/h3-11H,2,12-13H2,1H3,(H,19,21).
What are the key properties of 1-benzyl-1-ethyl-3-[(2-fluorophenyl)methyl]urea?
1-benzyl-1-ethyl-3-[(2-fluorophenyl)methyl]urea has a molecular weight of 286.35 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-ethyl-3-[(2-fluorophenyl)methyl]urea is sourced from PubChem (CID 38945345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).