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

C18H19FN2O — CID 86843833

IUPAC1-[2-(4-fluorophenyl)ethyl]-3-(2-phenylcyclopropyl)urea
SMILESO=C(NCCc1ccc(F)cc1)NC1CC1c1ccccc1
InChIInChI=1S/C18H19FN2O/c19-15-8-6-13(7-9-15)10-11-20-18(22)21-17-12-16(17)14-4-2-1-3-5-14/h1-9,16-17H,10-12H2,(H2,20,21,22)
InChIKeyQDMHXBWXDUVGII-UHFFFAOYSA-N
MW298.36 g/mol
LogP3.22
Rot. Bonds5

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

1-[2-(4-fluorophenyl)ethyl]-3-(2-phenylcyclopropyl)urea (PubChem CID 86843833) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)ethyl]-3-(2-phenylcyclopropyl)urea.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)ethyl]-3-(2-phenylcyclopropyl)urea
PubChem CID86843833
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Name1-[2-(4-fluorophenyl)ethyl]-3-(2-phenylcyclopropyl)urea
SMILESO=C(NCCc1ccc(F)cc1)NC1CC1c1ccccc1
InChIInChI=1S/C18H19FN2O/c19-15-8-6-13(7-9-15)10-11-20-18(22)21-17-12-16(17)14-4-2-1-3-5-14/h1-9,16-17H,10-12H2,(H2,20,21,22)
InChIKeyQDMHXBWXDUVGII-UHFFFAOYSA-N
XLogP3.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-hydroxypropyl)-3-(2-phenylcyclopropyl)urea
CID 47764322
1-[2-(2,6-dichlorophenyl)ethyl]-3-(2-phenylcyclopropyl)urea
CID 3323199
trans-(1R,2R)-2-(4-fluorophenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]cyclopropane-1-carboxamide
CID 95338461
trans-(1R,2S)-N-[(4-fluorophenyl)methyl]-2-phenylcyclopropan-1-amine
CID 46869734
(3R,4R)-3-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-phenylethyl)pyrrolidine-3,4-dicarboxamide
CID 154961335
N'-[2-(4-fluorophenyl)ethyl]-N-(2-phenylethyl)oxamide
CID 3117526
2-[2-(4-fluorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60792833
2-methyl-3-[(2-phenylcyclopropyl)carbamoylamino]propanoic acid
CID 55105274
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 120760922
1-(2-hydroxy-3,3-dimethylbutyl)-3-(2-phenylcyclopropyl)urea
CID 111338273
2-methyl-1-[2-(4-methylsulfonylphenyl)ethyl]-3-(2-phenylcyclopropyl)guanidine
CID 111613630
2-(4-fluorophenyl)-N-(2-naphthalen-2-ylethyl)cyclopropane-1-carboxamide
CID 78866705

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-3-(2-phenylcyclopropyl)urea?
The IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-3-(2-phenylcyclopropyl)urea (CID 86843833) is 1-[2-(4-fluorophenyl)ethyl]-3-(2-phenylcyclopropyl)urea.
What is the SMILES notation for 1-[2-(4-fluorophenyl)ethyl]-3-(2-phenylcyclopropyl)urea?
The canonical SMILES for 1-[2-(4-fluorophenyl)ethyl]-3-(2-phenylcyclopropyl)urea is O=C(NCCc1ccc(F)cc1)NC1CC1c1ccccc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)ethyl]-3-(2-phenylcyclopropyl)urea?
The InChIKey is QDMHXBWXDUVGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O/c19-15-8-6-13(7-9-15)10-11-20-18(22)21-17-12-16(17)14-4-2-1-3-5-14/h1-9,16-17H,10-12H2,(H2,20,21,22).
What are the key properties of 1-[2-(4-fluorophenyl)ethyl]-3-(2-phenylcyclopropyl)urea?
1-[2-(4-fluorophenyl)ethyl]-3-(2-phenylcyclopropyl)urea has a molecular weight of 298.36 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)ethyl]-3-(2-phenylcyclopropyl)urea is sourced from PubChem (CID 86843833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).