1-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea

C18H21FN2O3 — CID 110895772

IUPAC1-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea
SMILESCOc1ccc(F)cc1C(C)NC(=O)NC(CO)c1ccccc1
InChIInChI=1S/C18H21FN2O3/c1-12(15-10-14(19)8-9-17(15)24-2)20-18(23)21-16(11-22)13-6-4-3-5-7-13/h3-10,12,16,22H,11H2,1-2H3,(H2,20,21,23)
InChIKeyQWSPDIBOVSPNJU-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.93
Rot. Bonds6

About 1-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea

1-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea (PubChem CID 110895772) has the molecular formula C18H21FN2O3 and a molecular weight of 332.38 g/mol. Its IUPAC name is 1-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea.

Molecular Properties

Compound Name1-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea
PubChem CID110895772
Molecular FormulaC18H21FN2O3
Molecular Weight332.38 g/mol
Exact Mass332.15
IUPAC Name1-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea
SMILESCOc1ccc(F)cc1C(C)NC(=O)NC(CO)c1ccccc1
InChIInChI=1S/C18H21FN2O3/c1-12(15-10-14(19)8-9-17(15)24-2)20-18(23)21-16(11-22)13-6-4-3-5-7-13/h3-10,12,16,22H,11H2,1-2H3,(H2,20,21,23)
InChIKeyQWSPDIBOVSPNJU-UHFFFAOYSA-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-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[(1R)-2-hydroxy-1-phenylethyl]urea
CID 95968288
1-[1-(2,3-difluorophenyl)ethyl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea
CID 75517893
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]benzamide
CID 60794723
1-[1-(2,5-dimethoxyphenyl)ethyl]-3-(3-methyl-1-phenylbutyl)urea;hydrochloride
CID 55589906
2-fluoro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]benzamide
CID 60794579
1-(3-fluoro-4-methoxyphenyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 110895751
(2R)-2-[[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]-2-phenylacetamide
CID 94599176
(2R)-2-[[(1S)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]-2-phenylacetamide
CID 94599175
2-chloro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]acetamide
CID 43701037
3-(5-fluoro-2-methoxyphenyl)-3-(propan-2-ylamino)propanoic acid
CID 112518994
1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 110895795
1-[(1R)-2-hydroxy-1-phenylethyl]-3-propan-2-ylurea
CID 103763270

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea?
The IUPAC name of 1-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea (CID 110895772) is 1-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea.
What is the SMILES notation for 1-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea?
The canonical SMILES for 1-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea is COc1ccc(F)cc1C(C)NC(=O)NC(CO)c1ccccc1.
What is the InChIKey of 1-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea?
The InChIKey is QWSPDIBOVSPNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3/c1-12(15-10-14(19)8-9-17(15)24-2)20-18(23)21-16(11-22)13-6-4-3-5-7-13/h3-10,12,16,22H,11H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea?
1-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(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-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea is sourced from PubChem (CID 110895772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).