1-(3-fluoro-4-methoxyphenyl)-3-(2-hydroxy-1-phenylethyl)urea

C16H17FN2O3 — CID 110895751

IUPAC1-(3-fluoro-4-methoxyphenyl)-3-(2-hydroxy-1-phenylethyl)urea
SMILESCOc1ccc(NC(=O)NC(CO)c2ccccc2)cc1F
InChIInChI=1S/C16H17FN2O3/c1-22-15-8-7-12(9-13(15)17)18-16(21)19-14(10-20)11-5-3-2-4-6-11/h2-9,14,20H,10H2,1H3,(H2,18,19,21)
InChIKeyWAANPSOYVOQOSW-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.69
Rot. Bonds5

About 1-(3-fluoro-4-methoxyphenyl)-3-(2-hydroxy-1-phenylethyl)urea

1-(3-fluoro-4-methoxyphenyl)-3-(2-hydroxy-1-phenylethyl)urea (PubChem CID 110895751) has the molecular formula C16H17FN2O3 and a molecular weight of 304.32 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-3-(2-hydroxy-1-phenylethyl)urea.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-3-(2-hydroxy-1-phenylethyl)urea
PubChem CID110895751
Molecular FormulaC16H17FN2O3
Molecular Weight304.32 g/mol
Exact Mass304.12
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-3-(2-hydroxy-1-phenylethyl)urea
SMILESCOc1ccc(NC(=O)NC(CO)c2ccccc2)cc1F
InChIInChI=1S/C16H17FN2O3/c1-22-15-8-7-12(9-13(15)17)18-16(21)19-14(10-20)11-5-3-2-4-6-11/h2-9,14,20H,10H2,1H3,(H2,18,19,21)
InChIKeyWAANPSOYVOQOSW-UHFFFAOYSA-N
XLogP2.69
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(3-fluoro-4-methoxyphenyl)-3-(2-hydroxy-1-phenylethyl)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

1-(3-fluoro-4-methylsulfanylphenyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 111475376
1-(2-hydroxy-1-phenylethyl)-3-(3,4,5-trifluorophenyl)urea
CID 111458987
1-(4-ethoxy-3-methylphenyl)-3-[(1S)-2-hydroxy-1-phenylethyl]urea
CID 111103703
(2S,3R)-2-[(3-fluoro-4-methoxyphenyl)carbamoylamino]-3-hydroxybutanoic acid
CID 104965870
2-[5-chloro-2-[(3-fluoro-4-methoxyphenyl)carbamoyl]phenyl]-5-[[(1S)-2-hydroxy-1-phenylethyl]carbamoyl]benzoic acid
CID 155553677
1-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 110895772
1-(2-hydroxy-1-phenylethyl)-3-(3-methylsulfanylphenyl)urea
CID 72688100
4-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzamide
CID 103945331
1-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[(1R)-2-hydroxy-1-phenylethyl]urea
CID 95968288
1-[2-(dimethylamino)-1-phenylethyl]-3-[(3-fluoro-4-methoxyphenyl)methyl]urea
CID 78880262
(2R)-2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-phenylethanol
CID 103788710
1-(2-fluorophenyl)-3-[(1R)-2-hydroxy-1-phenylethyl]urea
CID 103765021

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-3-(2-hydroxy-1-phenylethyl)urea?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-3-(2-hydroxy-1-phenylethyl)urea (CID 110895751) is 1-(3-fluoro-4-methoxyphenyl)-3-(2-hydroxy-1-phenylethyl)urea.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-3-(2-hydroxy-1-phenylethyl)urea?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-3-(2-hydroxy-1-phenylethyl)urea is COc1ccc(NC(=O)NC(CO)c2ccccc2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-3-(2-hydroxy-1-phenylethyl)urea?
The InChIKey is WAANPSOYVOQOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3/c1-22-15-8-7-12(9-13(15)17)18-16(21)19-14(10-20)11-5-3-2-4-6-11/h2-9,14,20H,10H2,1H3,(H2,18,19,21).
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-3-(2-hydroxy-1-phenylethyl)urea?
1-(3-fluoro-4-methoxyphenyl)-3-(2-hydroxy-1-phenylethyl)urea has a molecular weight of 304.32 g/mol, XLogP of 2.69, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-3-(2-hydroxy-1-phenylethyl)urea is sourced from PubChem (CID 110895751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).