1-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-(2-hydroxyethyl)urea

C12H17FN2O3 — CID 111474132

IUPAC1-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-(2-hydroxyethyl)urea
SMILESCOc1cccc(F)c1C(C)NC(=O)NCCO
InChIInChI=1S/C12H17FN2O3/c1-8(15-12(17)14-6-7-16)11-9(13)4-3-5-10(11)18-2/h3-5,8,16H,6-7H2,1-2H3,(H2,14,15,17)
InChIKeyNICMWPPMEJQVOC-UHFFFAOYSA-N
MW256.28 g/mol
LogP1.19
Rot. Bonds5

About 1-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-(2-hydroxyethyl)urea

1-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-(2-hydroxyethyl)urea (PubChem CID 111474132) has the molecular formula C12H17FN2O3 and a molecular weight of 256.28 g/mol. Its IUPAC name is 1-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-(2-hydroxyethyl)urea
PubChem CID111474132
Molecular FormulaC12H17FN2O3
Molecular Weight256.28 g/mol
Exact Mass256.12
IUPAC Name1-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-(2-hydroxyethyl)urea
SMILESCOc1cccc(F)c1C(C)NC(=O)NCCO
InChIInChI=1S/C12H17FN2O3/c1-8(15-12(17)14-6-7-16)11-9(13)4-3-5-10(11)18-2/h3-5,8,16H,6-7H2,1-2H3,(H2,14,15,17)
InChIKeyNICMWPPMEJQVOC-UHFFFAOYSA-N
XLogP1.19
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111508273
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-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
3-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylbutanamide;hydrochloride
CID 120501620
(2R)-2-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119335139
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119803793
2-[1-(2-fluoro-6-methoxyphenyl)ethylamino]propane-1,3-diol
CID 112700459
methyl 2-[[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]amino]acetate
CID 97334412
(2S)-2-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 119803788
1-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[(1R,2S)-2-hydroxycyclohexyl]urea
CID 97020554

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-(2-hydroxyethyl)urea?
The IUPAC name of 1-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-(2-hydroxyethyl)urea (CID 111474132) is 1-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-(2-hydroxyethyl)urea?
The canonical SMILES for 1-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-(2-hydroxyethyl)urea is COc1cccc(F)c1C(C)NC(=O)NCCO.
What is the InChIKey of 1-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-(2-hydroxyethyl)urea?
The InChIKey is NICMWPPMEJQVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3/c1-8(15-12(17)14-6-7-16)11-9(13)4-3-5-10(11)18-2/h3-5,8,16H,6-7H2,1-2H3,(H2,14,15,17).
What are the key properties of 1-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-(2-hydroxyethyl)urea?
1-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-(2-hydroxyethyl)urea has a molecular weight of 256.28 g/mol, XLogP of 1.19, 5 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-(2-hydroxyethyl)urea is sourced from PubChem (CID 111474132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).