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

C16H17FN2O2 — CID 3548825

IUPAC1-(2-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
SMILESCOc1ccc(CCNC(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C16H17FN2O2/c1-21-13-8-6-12(7-9-13)10-11-18-16(20)19-15-5-3-2-4-14(15)17/h2-9H,10-11H2,1H3,(H2,18,19,20)
InChIKeyHOHNSNIEWSEHLL-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.20
Rot. Bonds5

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

1-(2-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea (PubChem CID 3548825) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
PubChem CID3548825
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name1-(2-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
SMILESCOc1ccc(CCNC(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C16H17FN2O2/c1-21-13-8-6-12(7-9-13)10-11-18-16(20)19-15-5-3-2-4-14(15)17/h2-9H,10-11H2,1H3,(H2,18,19,20)
InChIKeyHOHNSNIEWSEHLL-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
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-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(2-fluorophenyl)urea
CID 108891607
2-fluoro-6-hydroxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 104916422
1-[(3,5-dimethoxyphenyl)methyl]-3-(2-fluorophenyl)urea
CID 23938828
1-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 97428539
1-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylphenyl)urea
CID 108867012
1-[2-(4-methoxyphenyl)ethyl]-3-(1-methylindol-3-yl)urea
CID 18582320
1-(2,4-dimethylphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108901898
N-(2-fluorophenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109122480
1-(2,6-dichlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108902007
1-(2-fluorophenyl)-3-[2-(furan-3-yl)ethyl]urea
CID 90558541
1-[3-[4-(dimethylamino)phenyl]propyl]-3-(2-fluorophenyl)urea
CID 38887391

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-(2-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea (CID 3548825) is 1-(2-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea is COc1ccc(CCNC(=O)Nc2ccccc2F)cc1.
What is the InChIKey of 1-(2-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea?
The InChIKey is HOHNSNIEWSEHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-21-13-8-6-12(7-9-13)10-11-18-16(20)19-15-5-3-2-4-14(15)17/h2-9H,10-11H2,1H3,(H2,18,19,20).
What are the key properties of 1-(2-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea?
1-(2-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea has a molecular weight of 288.32 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 3548825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).