1-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea

C15H23FN2O3 — CID 111508273

IUPAC1-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea
SMILESCOc1cccc(F)c1C(C)NC(=O)NCC(C)CCO
InChIInChI=1S/C15H23FN2O3/c1-10(7-8-19)9-17-15(20)18-11(2)14-12(16)5-4-6-13(14)21-3/h4-6,10-11,19H,7-9H2,1-3H3,(H2,17,18,20)
InChIKeyWXYONDGBPDABGL-UHFFFAOYSA-N
MW298.36 g/mol
LogP2.21
Rot. Bonds7

About 1-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea

1-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea (PubChem CID 111508273) has the molecular formula C15H23FN2O3 and a molecular weight of 298.36 g/mol. Its IUPAC name is 1-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea.

Molecular Properties

Compound Name1-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea
PubChem CID111508273
Molecular FormulaC15H23FN2O3
Molecular Weight298.36 g/mol
Exact Mass298.17
IUPAC Name1-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea
SMILESCOc1cccc(F)c1C(C)NC(=O)NCC(C)CCO
InChIInChI=1S/C15H23FN2O3/c1-10(7-8-19)9-17-15(20)18-11(2)14-12(16)5-4-6-13(14)21-3/h4-6,10-11,19H,7-9H2,1-3H3,(H2,17,18,20)
InChIKeyWXYONDGBPDABGL-UHFFFAOYSA-N
XLogP2.21
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-(2-hydroxyethyl)urea
CID 111474132
1-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 111505609
1-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[(1R)-2-hydroxy-1-phenylethyl]urea
CID 95968288
3-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-4-methylpentan-1-ol
CID 103786462
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119803793
3-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119335125
1-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 99107240
1-[1-(3,4-difluorophenyl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111503722
3-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylbutanamide;hydrochloride
CID 120501620
1-(4-hydroxy-2-methylbutyl)-3-(1-phenylethyl)urea
CID 111503751
(2R)-2-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119335139
1-[1-(4-fluoro-3,5-dimethylphenyl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111508335

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea?
The IUPAC name of 1-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea (CID 111508273) is 1-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea.
What is the SMILES notation for 1-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea?
The canonical SMILES for 1-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea is COc1cccc(F)c1C(C)NC(=O)NCC(C)CCO.
What is the InChIKey of 1-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea?
The InChIKey is WXYONDGBPDABGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O3/c1-10(7-8-19)9-17-15(20)18-11(2)14-12(16)5-4-6-13(14)21-3/h4-6,10-11,19H,7-9H2,1-3H3,(H2,17,18,20).
What are the key properties of 1-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea?
1-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea has a molecular weight of 298.36 g/mol, XLogP of 2.21, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea is sourced from PubChem (CID 111508273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).