1-[2-(3-fluorophenyl)-2-methoxyethyl]-3-phenylurea

C16H17FN2O2 — CID 90623219

IUPAC1-[2-(3-fluorophenyl)-2-methoxyethyl]-3-phenylurea
SMILESCOC(CNC(=O)Nc1ccccc1)c1cccc(F)c1
InChIInChI=1S/C16H17FN2O2/c1-21-15(12-6-5-7-13(17)10-12)11-18-16(20)19-14-8-3-2-4-9-14/h2-10,15H,11H2,1H3,(H2,18,19,20)
InChIKeyBCZSJLYWJNIYOE-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.33
Rot. Bonds5

About 1-[2-(3-fluorophenyl)-2-methoxyethyl]-3-phenylurea

1-[2-(3-fluorophenyl)-2-methoxyethyl]-3-phenylurea (PubChem CID 90623219) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)-2-methoxyethyl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)-2-methoxyethyl]-3-phenylurea
PubChem CID90623219
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name1-[2-(3-fluorophenyl)-2-methoxyethyl]-3-phenylurea
SMILESCOC(CNC(=O)Nc1ccccc1)c1cccc(F)c1
InChIInChI=1S/C16H17FN2O2/c1-21-15(12-6-5-7-13(17)10-12)11-18-16(20)19-14-8-3-2-4-9-14/h2-10,15H,11H2,1H3,(H2,18,19,20)
InChIKeyBCZSJLYWJNIYOE-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-fluorophenyl)-2-methoxyethyl]-3-(4-methylphenyl)urea
CID 90623223
1-[2-(3-fluorophenyl)-2-methoxyethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 73168484
N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-methylpropanamide
CID 90622872
N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-phenylpropanamide
CID 90622906
1-(5-chloro-2-methoxyphenyl)-3-[2-(3-fluorophenyl)-2-methoxyethyl]urea
CID 73168483
1-[(4-chlorophenyl)methyl]-3-[2-(3-fluorophenyl)-2-methoxyethyl]urea
CID 90623238
N'-[2-(3-fluorophenyl)-2-methoxyethyl]-N-(2-methoxyethyl)oxamide
CID 90623137
1-(2-methoxy-2-phenylethyl)-3-(4-propylphenyl)urea
CID 112824956
1-(3,5-dimethoxyphenyl)-3-[2-methoxy-2-(3-methoxyphenyl)ethyl]urea
CID 90623649
N'-(3-chloro-4-fluorophenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]oxamide
CID 90623188
1-[2-methoxy-2-(3-methoxyphenyl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 90623654
N'-(2-cyanophenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]oxamide
CID 73168459

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)-2-methoxyethyl]-3-phenylurea?
The IUPAC name of 1-[2-(3-fluorophenyl)-2-methoxyethyl]-3-phenylurea (CID 90623219) is 1-[2-(3-fluorophenyl)-2-methoxyethyl]-3-phenylurea.
What is the SMILES notation for 1-[2-(3-fluorophenyl)-2-methoxyethyl]-3-phenylurea?
The canonical SMILES for 1-[2-(3-fluorophenyl)-2-methoxyethyl]-3-phenylurea is COC(CNC(=O)Nc1ccccc1)c1cccc(F)c1.
What is the InChIKey of 1-[2-(3-fluorophenyl)-2-methoxyethyl]-3-phenylurea?
The InChIKey is BCZSJLYWJNIYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-21-15(12-6-5-7-13(17)10-12)11-18-16(20)19-14-8-3-2-4-9-14/h2-10,15H,11H2,1H3,(H2,18,19,20).
What are the key properties of 1-[2-(3-fluorophenyl)-2-methoxyethyl]-3-phenylurea?
1-[2-(3-fluorophenyl)-2-methoxyethyl]-3-phenylurea has a molecular weight of 288.32 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)-2-methoxyethyl]-3-phenylurea is sourced from PubChem (CID 90623219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).