1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[1-(oxolan-2-yl)ethyl]urea

C15H21FN2O3 — CID 110893460

IUPAC1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[1-(oxolan-2-yl)ethyl]urea
SMILESCC(NC(=O)NCC(O)c1ccccc1F)C1CCCO1
InChIInChI=1S/C15H21FN2O3/c1-10(14-7-4-8-21-14)18-15(20)17-9-13(19)11-5-2-3-6-12(11)16/h2-3,5-6,10,13-14,19H,4,7-9H2,1H3,(H2,17,18,20)
InChIKeyUJGHDKVBAREBFO-UHFFFAOYSA-N
MW296.34 g/mol
LogP1.73
Rot. Bonds5

About 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[1-(oxolan-2-yl)ethyl]urea

1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[1-(oxolan-2-yl)ethyl]urea (PubChem CID 110893460) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[1-(oxolan-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[1-(oxolan-2-yl)ethyl]urea
PubChem CID110893460
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Name1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[1-(oxolan-2-yl)ethyl]urea
SMILESCC(NC(=O)NCC(O)c1ccccc1F)C1CCCO1
InChIInChI=1S/C15H21FN2O3/c1-10(14-7-4-8-21-14)18-15(20)17-9-13(19)11-5-2-3-6-12(11)16/h2-3,5-6,10,13-14,19H,4,7-9H2,1H3,(H2,17,18,20)
InChIKeyUJGHDKVBAREBFO-UHFFFAOYSA-N
XLogP1.73
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[1-(oxolan-2-yl)ethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-4-methyl-N-[2-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]carbamoylamino]ethyl]benzamide
CID 36978066
1-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]urea
CID 95767331
1-[1-(2-chlorophenyl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea
CID 46486147
1-[1-(oxolan-2-yl)ethyl]-3-(4-phenylbutan-2-yl)urea
CID 134006695
1-[(2R)-2-methylsulfanylpropyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 97087333
1-[1-(oxolan-2-yl)ethyl]-3-[(1-phenylcyclobutyl)methyl]urea
CID 134006680
1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 95134541
2,3-difluoro-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 62648709
1-(2-fluorophenyl)-N-[1-(oxolan-2-yl)ethyl]propan-1-amine
CID 112631436
1-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-[1-(oxolan-2-yl)ethyl]urea
CID 86941191
1-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-3-(pyridin-3-ylmethyl)urea
CID 94149059
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[1-(oxolan-2-yl)ethyl]urea
CID 91661831

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[1-(oxolan-2-yl)ethyl]urea?
The IUPAC name of 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[1-(oxolan-2-yl)ethyl]urea (CID 110893460) is 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[1-(oxolan-2-yl)ethyl]urea.
What is the SMILES notation for 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[1-(oxolan-2-yl)ethyl]urea?
The canonical SMILES for 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[1-(oxolan-2-yl)ethyl]urea is CC(NC(=O)NCC(O)c1ccccc1F)C1CCCO1.
What is the InChIKey of 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[1-(oxolan-2-yl)ethyl]urea?
The InChIKey is UJGHDKVBAREBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-10(14-7-4-8-21-14)18-15(20)17-9-13(19)11-5-2-3-6-12(11)16/h2-3,5-6,10,13-14,19H,4,7-9H2,1H3,(H2,17,18,20).
What are the key properties of 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[1-(oxolan-2-yl)ethyl]urea?
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[1-(oxolan-2-yl)ethyl]urea has a molecular weight of 296.34 g/mol, XLogP of 1.73, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[1-(oxolan-2-yl)ethyl]urea is sourced from PubChem (CID 110893460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).