1-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[(1R)-2-hydroxy-1-phenylethyl]urea

C18H21FN2O3 — CID 95968288

IUPAC1-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[(1R)-2-hydroxy-1-phenylethyl]urea
SMILESCOc1cccc(F)c1[C@@H](C)NC(=O)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C18H21FN2O3/c1-12(17-14(19)9-6-10-16(17)24-2)20-18(23)21-15(11-22)13-7-4-3-5-8-13/h3-10,12,15,22H,11H2,1-2H3,(H2,20,21,23)/t12-,15+/m1/s1
InChIKeyZBXXYLOGQJDIQR-DOMZBBRYSA-N
MW332.38 g/mol
LogP2.93
Rot. Bonds6

About 1-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[(1R)-2-hydroxy-1-phenylethyl]urea

1-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[(1R)-2-hydroxy-1-phenylethyl]urea (PubChem CID 95968288) has the molecular formula C18H21FN2O3 and a molecular weight of 332.38 g/mol. Its IUPAC name is 1-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[(1R)-2-hydroxy-1-phenylethyl]urea.

Molecular Properties

Compound Name1-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[(1R)-2-hydroxy-1-phenylethyl]urea
PubChem CID95968288
Molecular FormulaC18H21FN2O3
Molecular Weight332.38 g/mol
Exact Mass332.15
IUPAC Name1-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[(1R)-2-hydroxy-1-phenylethyl]urea
SMILESCOc1cccc(F)c1[C@@H](C)NC(=O)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C18H21FN2O3/c1-12(17-14(19)9-6-10-16(17)24-2)20-18(23)21-15(11-22)13-7-4-3-5-8-13/h3-10,12,15,22H,11H2,1-2H3,(H2,20,21,23)/t12-,15+/m1/s1
InChIKeyZBXXYLOGQJDIQR-DOMZBBRYSA-N
XLogP2.93
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 110895772
1-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-(2-hydroxyethyl)urea
CID 111474132
1-[1-(2,3-difluorophenyl)ethyl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea
CID 75517893
1-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 111505609
(2S)-2-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 119335132
1-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111508273
1-(3-fluoro-4-methoxyphenyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 110895751
2-[1-(2-fluoro-6-methoxyphenyl)ethylamino]propane-1,3-diol
CID 112700459
3-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119335125
1-[(1R)-2-hydroxy-1-phenylethyl]-3-propan-2-ylurea
CID 103763270
2,6-difluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 103944481
2,6-difluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63184322

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[(1R)-2-hydroxy-1-phenylethyl]urea?
The IUPAC name of 1-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[(1R)-2-hydroxy-1-phenylethyl]urea (CID 95968288) is 1-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[(1R)-2-hydroxy-1-phenylethyl]urea.
What is the SMILES notation for 1-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[(1R)-2-hydroxy-1-phenylethyl]urea?
The canonical SMILES for 1-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[(1R)-2-hydroxy-1-phenylethyl]urea is COc1cccc(F)c1[C@@H](C)NC(=O)N[C@@H](CO)c1ccccc1.
What is the InChIKey of 1-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[(1R)-2-hydroxy-1-phenylethyl]urea?
The InChIKey is ZBXXYLOGQJDIQR-DOMZBBRYSA-N. The full InChI is InChI=1S/C18H21FN2O3/c1-12(17-14(19)9-6-10-16(17)24-2)20-18(23)21-15(11-22)13-7-4-3-5-8-13/h3-10,12,15,22H,11H2,1-2H3,(H2,20,21,23)/t12-,15+/m1/s1.
What are the key properties of 1-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[(1R)-2-hydroxy-1-phenylethyl]urea?
1-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[(1R)-2-hydroxy-1-phenylethyl]urea has a molecular weight of 332.38 g/mol, XLogP of 2.93, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[(1R)-2-hydroxy-1-phenylethyl]urea is sourced from PubChem (CID 95968288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).