1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[[3-(methoxymethyl)phenyl]methyl]urea

C18H21FN2O3 — CID 110893422

IUPAC1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[[3-(methoxymethyl)phenyl]methyl]urea
SMILESCOCc1cccc(CNC(=O)NCC(O)c2ccccc2F)c1
InChIInChI=1S/C18H21FN2O3/c1-24-12-14-6-4-5-13(9-14)10-20-18(23)21-11-17(22)15-7-2-3-8-16(15)19/h2-9,17,22H,10-12H2,1H3,(H2,20,21,23)
InChIKeyKLCQNPPJRFESHE-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.50
Rot. Bonds7

About 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[[3-(methoxymethyl)phenyl]methyl]urea

1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[[3-(methoxymethyl)phenyl]methyl]urea (PubChem CID 110893422) has the molecular formula C18H21FN2O3 and a molecular weight of 332.38 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[[3-(methoxymethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[[3-(methoxymethyl)phenyl]methyl]urea
PubChem CID110893422
Molecular FormulaC18H21FN2O3
Molecular Weight332.38 g/mol
Exact Mass332.15
IUPAC Name1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[[3-(methoxymethyl)phenyl]methyl]urea
SMILESCOCc1cccc(CNC(=O)NCC(O)c2ccccc2F)c1
InChIInChI=1S/C18H21FN2O3/c1-24-12-14-6-4-5-13(9-14)10-20-18(23)21-11-17(22)15-7-2-3-8-16(15)19/h2-9,17,22H,10-12H2,1H3,(H2,20,21,23)
InChIKeyKLCQNPPJRFESHE-UHFFFAOYSA-N
XLogP2.50
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[[4-(methoxymethyl)phenyl]methyl]urea
CID 75887806
1-[(3-ethoxyphenyl)methyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 110893418
1-(2-hydroxy-3,3-dimethylbutyl)-3-[[3-(methoxymethyl)phenyl]methyl]urea
CID 111338038
1-[[4-(dimethylamino)-3-fluorophenyl]methyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 110910380
1-(2-hydroxypentyl)-3-[[3-(methoxymethyl)phenyl]methyl]urea
CID 111338040
1-[3-(ethoxymethyl)phenyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 110923034
1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-[3-(methoxymethyl)phenyl]urea
CID 111453013
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 111566193
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[[4-(methoxymethyl)phenyl]methyl]urea
CID 110893336
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[(1-methylcyclopentyl)methyl]urea
CID 111110057
1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 55929980
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-prop-2-enylurea
CID 47176500

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[[3-(methoxymethyl)phenyl]methyl]urea?
The IUPAC name of 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[[3-(methoxymethyl)phenyl]methyl]urea (CID 110893422) is 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[[3-(methoxymethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[[3-(methoxymethyl)phenyl]methyl]urea?
The canonical SMILES for 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[[3-(methoxymethyl)phenyl]methyl]urea is COCc1cccc(CNC(=O)NCC(O)c2ccccc2F)c1.
What is the InChIKey of 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[[3-(methoxymethyl)phenyl]methyl]urea?
The InChIKey is KLCQNPPJRFESHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3/c1-24-12-14-6-4-5-13(9-14)10-20-18(23)21-11-17(22)15-7-2-3-8-16(15)19/h2-9,17,22H,10-12H2,1H3,(H2,20,21,23).
What are the key properties of 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[[3-(methoxymethyl)phenyl]methyl]urea?
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[[3-(methoxymethyl)phenyl]methyl]urea has a molecular weight of 332.38 g/mol, XLogP of 2.50, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[[3-(methoxymethyl)phenyl]methyl]urea is sourced from PubChem (CID 110893422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).