1-(2-ethoxyphenyl)-3-[2-(4-fluorophenyl)ethyl]urea

C17H19FN2O2 — CID 40666258

IUPAC1-(2-ethoxyphenyl)-3-[2-(4-fluorophenyl)ethyl]urea
SMILESCCOc1ccccc1NC(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C17H19FN2O2/c1-2-22-16-6-4-3-5-15(16)20-17(21)19-12-11-13-7-9-14(18)10-8-13/h3-10H,2,11-12H2,1H3,(H2,19,20,21)
InChIKeyLMYVCGCPPJUUMC-UHFFFAOYSA-N
MW302.35 g/mol
LogP3.59
Rot. Bonds6

About 1-(2-ethoxyphenyl)-3-[2-(4-fluorophenyl)ethyl]urea

1-(2-ethoxyphenyl)-3-[2-(4-fluorophenyl)ethyl]urea (PubChem CID 40666258) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3-[2-(4-fluorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3-[2-(4-fluorophenyl)ethyl]urea
PubChem CID40666258
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name1-(2-ethoxyphenyl)-3-[2-(4-fluorophenyl)ethyl]urea
SMILESCCOc1ccccc1NC(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C17H19FN2O2/c1-2-22-16-6-4-3-5-15(16)20-17(21)19-12-11-13-7-9-14(18)10-8-13/h3-10H,2,11-12H2,1H3,(H2,19,20,21)
InChIKeyLMYVCGCPPJUUMC-UHFFFAOYSA-N
XLogP3.59
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 971052
1-N'-(2-ethoxyphenyl)-1-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977513
1-(2-ethoxyphenyl)-3-(4-phenylbutyl)urea
CID 24818671
1-[2-(3-chlorophenyl)ethyl]-3-(2-ethoxyphenyl)urea
CID 17283504
N'-(2-ethoxyphenyl)-N-(2-phenylethyl)oxamide
CID 2274023
1-(2-ethoxyphenyl)-3-(2-methoxyethyl)urea
CID 47032357
1-[2-(2-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea
CID 3255337
1-[(4-fluorophenyl)methyl]-3-(2-propoxyphenyl)urea
CID 38197539
2-[2-(4-fluorophenyl)ethylcarbamoylamino]benzamide
CID 108902156
1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 60588883
1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(2-fluorophenyl)urea
CID 108891607
1-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-hydroxyphenyl)urea
CID 108871526

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-3-[2-(4-fluorophenyl)ethyl]urea?
The IUPAC name of 1-(2-ethoxyphenyl)-3-[2-(4-fluorophenyl)ethyl]urea (CID 40666258) is 1-(2-ethoxyphenyl)-3-[2-(4-fluorophenyl)ethyl]urea.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3-[2-(4-fluorophenyl)ethyl]urea?
The canonical SMILES for 1-(2-ethoxyphenyl)-3-[2-(4-fluorophenyl)ethyl]urea is CCOc1ccccc1NC(=O)NCCc1ccc(F)cc1.
What is the InChIKey of 1-(2-ethoxyphenyl)-3-[2-(4-fluorophenyl)ethyl]urea?
The InChIKey is LMYVCGCPPJUUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-2-22-16-6-4-3-5-15(16)20-17(21)19-12-11-13-7-9-14(18)10-8-13/h3-10H,2,11-12H2,1H3,(H2,19,20,21).
What are the key properties of 1-(2-ethoxyphenyl)-3-[2-(4-fluorophenyl)ethyl]urea?
1-(2-ethoxyphenyl)-3-[2-(4-fluorophenyl)ethyl]urea has a molecular weight of 302.35 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-3-[2-(4-fluorophenyl)ethyl]urea is sourced from PubChem (CID 40666258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).