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

C16H17FN2O2 — CID 6470936

IUPAC1-(2-ethoxyphenyl)-3-[(4-fluorophenyl)methyl]urea
SMILESCCOc1ccccc1NC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C16H17FN2O2/c1-2-21-15-6-4-3-5-14(15)19-16(20)18-11-12-7-9-13(17)10-8-12/h3-10H,2,11H2,1H3,(H2,18,19,20)
InChIKeyGVFZGQHHJKCGLN-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.55
Rot. Bonds5

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

1-(2-ethoxyphenyl)-3-[(4-fluorophenyl)methyl]urea (PubChem CID 6470936) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3-[(4-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3-[(4-fluorophenyl)methyl]urea
PubChem CID6470936
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name1-(2-ethoxyphenyl)-3-[(4-fluorophenyl)methyl]urea
SMILESCCOc1ccccc1NC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C16H17FN2O2/c1-2-21-15-6-4-3-5-14(15)19-16(20)18-11-12-7-9-13(17)10-8-12/h3-10H,2,11H2,1H3,(H2,18,19,20)
InChIKeyGVFZGQHHJKCGLN-UHFFFAOYSA-N
XLogP3.55
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-3-[(4-fluorophenyl)methyl]urea?
The IUPAC name of 1-(2-ethoxyphenyl)-3-[(4-fluorophenyl)methyl]urea (CID 6470936) is 1-(2-ethoxyphenyl)-3-[(4-fluorophenyl)methyl]urea.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3-[(4-fluorophenyl)methyl]urea?
The canonical SMILES for 1-(2-ethoxyphenyl)-3-[(4-fluorophenyl)methyl]urea is CCOc1ccccc1NC(=O)NCc1ccc(F)cc1.
What is the InChIKey of 1-(2-ethoxyphenyl)-3-[(4-fluorophenyl)methyl]urea?
The InChIKey is GVFZGQHHJKCGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-2-21-15-6-4-3-5-14(15)19-16(20)18-11-12-7-9-13(17)10-8-12/h3-10H,2,11H2,1H3,(H2,18,19,20).
What are the key properties of 1-(2-ethoxyphenyl)-3-[(4-fluorophenyl)methyl]urea?
1-(2-ethoxyphenyl)-3-[(4-fluorophenyl)methyl]urea has a molecular weight of 288.32 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-3-[(4-fluorophenyl)methyl]urea is sourced from PubChem (CID 6470936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).