1-[(2-ethoxyphenoxy)methyl]-3-[2-(2-fluorophenyl)ethyl]urea

C18H21FN2O3 — CID 108877434

IUPAC1-[(2-ethoxyphenoxy)methyl]-3-[2-(2-fluorophenyl)ethyl]urea
SMILESCCOc1ccccc1OCNC(=O)NCCc1ccccc1F
InChIInChI=1S/C18H21FN2O3/c1-2-23-16-9-5-6-10-17(16)24-13-21-18(22)20-12-11-14-7-3-4-8-15(14)19/h3-10H,2,11-13H2,1H3,(H2,20,21,22)
InChIKeyDLFFICRRUMQWGA-UHFFFAOYSA-N
MW332.38 g/mol
LogP3.10
Rot. Bonds8

About 1-[(2-ethoxyphenoxy)methyl]-3-[2-(2-fluorophenyl)ethyl]urea

1-[(2-ethoxyphenoxy)methyl]-3-[2-(2-fluorophenyl)ethyl]urea (PubChem CID 108877434) has the molecular formula C18H21FN2O3 and a molecular weight of 332.38 g/mol. Its IUPAC name is 1-[(2-ethoxyphenoxy)methyl]-3-[2-(2-fluorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-[(2-ethoxyphenoxy)methyl]-3-[2-(2-fluorophenyl)ethyl]urea
PubChem CID108877434
Molecular FormulaC18H21FN2O3
Molecular Weight332.38 g/mol
Exact Mass332.15
IUPAC Name1-[(2-ethoxyphenoxy)methyl]-3-[2-(2-fluorophenyl)ethyl]urea
SMILESCCOc1ccccc1OCNC(=O)NCCc1ccccc1F
InChIInChI=1S/C18H21FN2O3/c1-2-23-16-9-5-6-10-17(16)24-13-21-18(22)20-12-11-14-7-3-4-8-15(14)19/h3-10H,2,11-13H2,1H3,(H2,20,21,22)
InChIKeyDLFFICRRUMQWGA-UHFFFAOYSA-N
XLogP3.10
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 27847921
1-[2-(4-chlorophenyl)ethyl]-3-[(2-ethoxyphenoxy)methyl]urea
CID 108877443
1-[(4-ethoxy-3-methoxyphenyl)methyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 38383800
ethyl 2-[2-(2-fluorophenyl)ethylcarbamoylamino]acetate
CID 43385174
1-[(2-ethoxyphenoxy)methyl]-3-[(2-methylphenyl)methyl]urea
CID 108877424
1-[(2-ethoxyphenoxy)methyl]-3-(2,3,4-trifluorophenyl)urea
CID 108877405
1-[2-(2-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea
CID 3255337
1-[2-(diethylamino)ethyl]-3-[(2-ethoxyphenoxy)methyl]urea
CID 108877258
1-(2-ethylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900106
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(2-ethoxyphenoxy)methyl]urea
CID 108877150
2-(2-ethoxy-4-formylphenoxy)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 9201182
1-(2,6-difluorophenyl)-3-[(2-ethylphenoxy)methyl]urea
CID 108893321

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethoxyphenoxy)methyl]-3-[2-(2-fluorophenyl)ethyl]urea?
The IUPAC name of 1-[(2-ethoxyphenoxy)methyl]-3-[2-(2-fluorophenyl)ethyl]urea (CID 108877434) is 1-[(2-ethoxyphenoxy)methyl]-3-[2-(2-fluorophenyl)ethyl]urea.
What is the SMILES notation for 1-[(2-ethoxyphenoxy)methyl]-3-[2-(2-fluorophenyl)ethyl]urea?
The canonical SMILES for 1-[(2-ethoxyphenoxy)methyl]-3-[2-(2-fluorophenyl)ethyl]urea is CCOc1ccccc1OCNC(=O)NCCc1ccccc1F.
What is the InChIKey of 1-[(2-ethoxyphenoxy)methyl]-3-[2-(2-fluorophenyl)ethyl]urea?
The InChIKey is DLFFICRRUMQWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3/c1-2-23-16-9-5-6-10-17(16)24-13-21-18(22)20-12-11-14-7-3-4-8-15(14)19/h3-10H,2,11-13H2,1H3,(H2,20,21,22).
What are the key properties of 1-[(2-ethoxyphenoxy)methyl]-3-[2-(2-fluorophenyl)ethyl]urea?
1-[(2-ethoxyphenoxy)methyl]-3-[2-(2-fluorophenyl)ethyl]urea has a molecular weight of 332.38 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethoxyphenoxy)methyl]-3-[2-(2-fluorophenyl)ethyl]urea is sourced from PubChem (CID 108877434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).