1-[2-(2-fluorophenoxy)propyl]-3-(3-hydroxy-3-phenylpropyl)urea

C19H23FN2O3 — CID 111482952

IUPAC1-[2-(2-fluorophenoxy)propyl]-3-(3-hydroxy-3-phenylpropyl)urea
SMILESCC(CNC(=O)NCCC(O)c1ccccc1)Oc1ccccc1F
InChIInChI=1S/C19H23FN2O3/c1-14(25-18-10-6-5-9-16(18)20)13-22-19(24)21-12-11-17(23)15-7-3-2-4-8-15/h2-10,14,17,23H,11-13H2,1H3,(H2,21,22,24)
InChIKeySOWDREKCGMXORD-UHFFFAOYSA-N
MW346.40 g/mol
LogP3.02
Rot. Bonds8

About 1-[2-(2-fluorophenoxy)propyl]-3-(3-hydroxy-3-phenylpropyl)urea

1-[2-(2-fluorophenoxy)propyl]-3-(3-hydroxy-3-phenylpropyl)urea (PubChem CID 111482952) has the molecular formula C19H23FN2O3 and a molecular weight of 346.40 g/mol. Its IUPAC name is 1-[2-(2-fluorophenoxy)propyl]-3-(3-hydroxy-3-phenylpropyl)urea.

Molecular Properties

Compound Name1-[2-(2-fluorophenoxy)propyl]-3-(3-hydroxy-3-phenylpropyl)urea
PubChem CID111482952
Molecular FormulaC19H23FN2O3
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Name1-[2-(2-fluorophenoxy)propyl]-3-(3-hydroxy-3-phenylpropyl)urea
SMILESCC(CNC(=O)NCCC(O)c1ccccc1)Oc1ccccc1F
InChIInChI=1S/C19H23FN2O3/c1-14(25-18-10-6-5-9-16(18)20)13-22-19(24)21-12-11-17(23)15-7-3-2-4-8-15/h2-10,14,17,23H,11-13H2,1H3,(H2,21,22,24)
InChIKeySOWDREKCGMXORD-UHFFFAOYSA-N
XLogP3.02
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-fluorophenoxy)propyl]-3-(3-hydroxypropyl)urea
CID 111508672
1-[2-(2-fluorophenoxy)propyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111619056
1-(3-hydroxybutyl)-3-[2-(2-methylphenoxy)propyl]urea
CID 111508541
1-[2-(2-fluorophenoxy)propyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111508685
1-(2-ethylbutyl)-3-(3-hydroxy-3-phenylpropyl)urea
CID 111480824
1-(3-hydroxy-3-phenylpropyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 111478718
3-[2-(2-methoxyphenoxy)propylcarbamoylamino]propanoic acid
CID 122004183
1-[(4-fluorophenyl)methyl]-3-[(3R)-3-hydroxy-3-phenylpropyl]urea
CID 97038671
(2S)-2-amino-N-[2-(2-fluorophenoxy)propyl]-4-methylpentanamide;hydrochloride
CID 119804898
1-(3-hydroxy-3-phenylpropyl)-3-(4-propan-2-yloxyphenyl)urea
CID 111578950
1-[2-(2-fluorophenoxy)propyl]-3-[(3-methyl-2-pyridinyl)methyl]urea
CID 71868329
4-[2-(2-fluorophenoxy)propanoylamino]-2-hydroxybutanoic acid
CID 107832248

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenoxy)propyl]-3-(3-hydroxy-3-phenylpropyl)urea?
The IUPAC name of 1-[2-(2-fluorophenoxy)propyl]-3-(3-hydroxy-3-phenylpropyl)urea (CID 111482952) is 1-[2-(2-fluorophenoxy)propyl]-3-(3-hydroxy-3-phenylpropyl)urea.
What is the SMILES notation for 1-[2-(2-fluorophenoxy)propyl]-3-(3-hydroxy-3-phenylpropyl)urea?
The canonical SMILES for 1-[2-(2-fluorophenoxy)propyl]-3-(3-hydroxy-3-phenylpropyl)urea is CC(CNC(=O)NCCC(O)c1ccccc1)Oc1ccccc1F.
What is the InChIKey of 1-[2-(2-fluorophenoxy)propyl]-3-(3-hydroxy-3-phenylpropyl)urea?
The InChIKey is SOWDREKCGMXORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3/c1-14(25-18-10-6-5-9-16(18)20)13-22-19(24)21-12-11-17(23)15-7-3-2-4-8-15/h2-10,14,17,23H,11-13H2,1H3,(H2,21,22,24).
What are the key properties of 1-[2-(2-fluorophenoxy)propyl]-3-(3-hydroxy-3-phenylpropyl)urea?
1-[2-(2-fluorophenoxy)propyl]-3-(3-hydroxy-3-phenylpropyl)urea has a molecular weight of 346.40 g/mol, XLogP of 3.02, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenoxy)propyl]-3-(3-hydroxy-3-phenylpropyl)urea is sourced from PubChem (CID 111482952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).