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

C17H19FN2O — CID 108901143

IUPAC1-[2-(3-fluorophenyl)ethyl]-3-(1-phenylethyl)urea
SMILESCC(NC(=O)NCCc1cccc(F)c1)c1ccccc1
InChIInChI=1S/C17H19FN2O/c1-13(15-7-3-2-4-8-15)20-17(21)19-11-10-14-6-5-9-16(18)12-14/h2-9,12-13H,10-11H2,1H3,(H2,19,20,21)
InChIKeyZTBPDWYPJQHAQT-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.43
Rot. Bonds5

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

1-[2-(3-fluorophenyl)ethyl]-3-(1-phenylethyl)urea (PubChem CID 108901143) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)ethyl]-3-(1-phenylethyl)urea.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)ethyl]-3-(1-phenylethyl)urea
PubChem CID108901143
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name1-[2-(3-fluorophenyl)ethyl]-3-(1-phenylethyl)urea
SMILESCC(NC(=O)NCCc1cccc(F)c1)c1ccccc1
InChIInChI=1S/C17H19FN2O/c1-13(15-7-3-2-4-8-15)20-17(21)19-11-10-14-6-5-9-16(18)12-14/h2-9,12-13H,10-11H2,1H3,(H2,19,20,21)
InChIKeyZTBPDWYPJQHAQT-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(3-fluorophenyl)ethyl]-3-(1-pyridin-4-ylethyl)urea
CID 47024783
1-[2-(3-methoxyphenyl)ethyl]-3-(1-phenylethyl)urea
CID 86992683
1-[2-(3-fluorophenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 36962482
1-[2-(3-fluorophenyl)ethyl]-3-(1-hydroxypropan-2-yl)urea
CID 110892882
1-[2-(3-fluorophenyl)ethyl]-3-[(R)-phenyl(pyridin-2-yl)methyl]urea
CID 36962476
1-[2-(3-bromophenyl)ethyl]-3-[1-(4-ethylphenyl)ethyl]urea
CID 108901615
1-[2-(3-fluorophenyl)ethyl]-3-[1-(2-propan-2-ylphenoxy)ethyl]urea
CID 108878931
1-[(3-fluorophenyl)methyl]-3-(2-phenylethyl)urea
CID 47172429
(2S)-2-amino-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 61145838
5-[1-(3-fluorophenyl)ethylcarbamoylamino]-2-methylpentanoic acid
CID 104686420
(2R)-N-[2-(3-fluorophenyl)ethyl]-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 32934158
1-[(1S)-1-phenylethyl]-3-[8-[[(1S)-1-phenylethyl]carbamoylamino]octyl]urea
CID 102519107

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-3-(1-phenylethyl)urea?
The IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-3-(1-phenylethyl)urea (CID 108901143) is 1-[2-(3-fluorophenyl)ethyl]-3-(1-phenylethyl)urea.
What is the SMILES notation for 1-[2-(3-fluorophenyl)ethyl]-3-(1-phenylethyl)urea?
The canonical SMILES for 1-[2-(3-fluorophenyl)ethyl]-3-(1-phenylethyl)urea is CC(NC(=O)NCCc1cccc(F)c1)c1ccccc1.
What is the InChIKey of 1-[2-(3-fluorophenyl)ethyl]-3-(1-phenylethyl)urea?
The InChIKey is ZTBPDWYPJQHAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-13(15-7-3-2-4-8-15)20-17(21)19-11-10-14-6-5-9-16(18)12-14/h2-9,12-13H,10-11H2,1H3,(H2,19,20,21).
What are the key properties of 1-[2-(3-fluorophenyl)ethyl]-3-(1-phenylethyl)urea?
1-[2-(3-fluorophenyl)ethyl]-3-(1-phenylethyl)urea has a molecular weight of 286.35 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)ethyl]-3-(1-phenylethyl)urea is sourced from PubChem (CID 108901143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).