1-(2-ethylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea

C17H19FN2O — CID 108900106

IUPAC1-(2-ethylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea
SMILESCCc1ccccc1NC(=O)NCCc1ccccc1F
InChIInChI=1S/C17H19FN2O/c1-2-13-7-4-6-10-16(13)20-17(21)19-12-11-14-8-3-5-9-15(14)18/h3-10H,2,11-12H2,1H3,(H2,19,20,21)
InChIKeyZMJDGXTWGQAXKC-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.75
Rot. Bonds5

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

1-(2-ethylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea (PubChem CID 108900106) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-(2-ethylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea
PubChem CID108900106
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name1-(2-ethylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea
SMILESCCc1ccccc1NC(=O)NCCc1ccccc1F
InChIInChI=1S/C17H19FN2O/c1-2-13-7-4-6-10-16(13)20-17(21)19-12-11-14-8-3-5-9-15(14)18/h3-10H,2,11-12H2,1H3,(H2,19,20,21)
InChIKeyZMJDGXTWGQAXKC-UHFFFAOYSA-N
XLogP3.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-ethylphenyl)-3-[2-(2-fluorophenyl)ethylamino]propanamide
CID 109024840
1-(5-chloro-2-methylsulfanylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 60588730
N-[2-(2-fluorophenyl)ethyl]propanamide
CID 22380876
1-[2-(2-fluorophenyl)ethyl]-3-pentan-3-ylurea
CID 108888420
2-[(2-ethylphenyl)carbamoylamino]-N-(2-fluorophenyl)acetamide
CID 772197
1-[2-(2-fluorophenyl)ethyl]-3-(2,4,6-trimethylphenyl)urea
CID 108900009
1-(2,6-dichlorophenyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900131
N'-(2,6-diethylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide
CID 108948280
1-(4-amino-2-chlorophenyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900021
1-[2-(dimethylamino)ethyl]-3-(2-ethylphenyl)urea
CID 23764430
N-ethyl-2-[2-(2-fluorophenyl)ethylcarbamoylamino]propanamide
CID 42928317
ethyl 2-[2-(2-fluorophenyl)ethylcarbamoylamino]acetate
CID 43385174

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea?
The IUPAC name of 1-(2-ethylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea (CID 108900106) is 1-(2-ethylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea.
What is the SMILES notation for 1-(2-ethylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea?
The canonical SMILES for 1-(2-ethylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea is CCc1ccccc1NC(=O)NCCc1ccccc1F.
What is the InChIKey of 1-(2-ethylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea?
The InChIKey is ZMJDGXTWGQAXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-2-13-7-4-6-10-16(13)20-17(21)19-12-11-14-8-3-5-9-15(14)18/h3-10H,2,11-12H2,1H3,(H2,19,20,21).
What are the key properties of 1-(2-ethylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea?
1-(2-ethylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea has a molecular weight of 286.35 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea is sourced from PubChem (CID 108900106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).